Innovation Insights: AI in small molecule discovery

AI and ML technologies are being increasingly used in small molecule discovery, with a surge in patenting activity, particularly from tech and China-based companies. Pharma companies are also entering this space, filing patents on molecules generated by AI-based screening. The innovation landscape is dominated by China-based companies like Ping An, Tencent, and Baidu, with tech companies making up 57% of the total. The startup ecosystem is robust with 45+ startups, 30% of which are based in China. The AI in Small Molecule Drugs landscape is dominated by innovator drugs, with a focus on Oncology and Central Nervous System therapies. Investment activity has been significant, with 768 deals totaling $137.1 billion, the majority of which are from the US.

AI-based small molecule discovery, which uses AI and ML technologies is a high-impact innovation area with increasing citation activity and new entrants. Patenting activity is growing rapidly, dominated by tech and China-based companies. Notably, pharma companies like Takeda Pharma and Lantern Pharma are filing patents, often on molecules generated by AI-based screening. China-based companies like Ping An, Tencent, and Baidu lead the innovation landscape, with 57% of all companies in this space being tech companies. The startup ecosystem consists of 45+ startups, 30% of which are based in China. The AI in Small Molecule Drugs landscape, with 1,220 drugs, is dominated by innovator drugs focusing on Oncology and Central Nervous System therapies. Investment activity in this field has seen 768 deals totaling $137.1 billion, with the US leading in M&A deals.

How is our ‘State of Innovation intelligence 2024’ report unique from other reports in the market?

Our report stands out by integrating diverse, high-value data streams-patents, drugs, clinical trials, and deals-into one comprehensive resource.
This holistic approach provides a panoramic view of the AI-driven small molecule drug screening landscape, allowing you to uncover critical competitive insights, track emerging IP trends, and spot new market opportunities. Unlike many reports that focus on a single aspect, our report delivers actionable intelligence across the entire innovation cycle, from early-stage research to regulatory considerations and market adoption.
This depth and breadth of analysis not only inform strategic decision-making but also empower stakeholders to stay ahead in an increasingly competitive and fast-evolving industry.

We recommend this valuable source of information to anyone involved in:

​​​​Drug Development and ​​​​Pharma/Biotech Companies - Value chain

Pharmaceutical Industry Suppliers and Distributors

Pharma/Drug Manufacturing Companies - Leaders and Startups

Business Development and Market Intelligence

Investment Analysts and Portfolio Managers

Professional Services - Investment Banks, PE/VC Firms

M&A/Investment, Management Consultants, and Consulting Firms

Key Highlights

• AI-based small molecule screening is a high-impact innovation with rising citation activity and the entry of multiple new players, particularly in the technology sector.
• Patenting activity is growing rapidly, with a major inflection point in 2023, dominated by tech companies and China-based companies.
• Noteworthy observations include the rise of pharma companies filing patents in this space and filing patents on molecules generated by AI-based screening processes.
• China-based companies dominate the innovation landscape, with leading companies such as Ping An, Tencent, and Baidu.
• The startup ecosystem includes 45+ startups, with 30% based in China, and leading startups like Insilico Medicine, RO5, and Atomwise.
• The landscape of AI in small molecule drugs is dominated by innovator drugs, with a focus on oncology and CNS therapies, and a strong pipeline in preclinical and Phase I trials.
• Investment activity in AI in small molecule drugs has seen 768 deals totaling $137.1 billion, with the US leading in deal volume and value since 2020.

Scope

• Innovation Insights: innovation examples by each use cases segment of various sectors to present key trends.
• Key player: This represents a sample list of key players in each use case highlighted in the report.
• Startups: This represents a sample list of emerging starups in each use case highlighted in the report.
• University: This represents a sample list of leading universities in each use case highlighted in the report.

Reasons to Buy

• Stay Ahead of Industry Trends

AI-driven small molecule discovery is revolutionizing the pharmaceutical industry, reducing R&D costs and accelerating drug development.
This report provides insights into cutting-edge innovations, helping companies align their strategies with emerging trends.

• Competitive Intelligence

Understand which companies and research institutions are leading AI-based drug discovery efforts.
Identify key patents, clinical trials, and strategic deals that define the competitive landscape.

• Investment and Partnership Opportunities

Identify promising startups, licensing deals, and M&A opportunities in AI-driven small molecule discovery.
Track venture capital investments and partnerships between pharma companies and AI-focused firms.

• R&D and Pipeline Strategy Optimization

Discover which small molecules and disease areas are benefiting the most from AI applications.
Assess clinical trial progress and success rates to guide internal R&D decisions.

• Intellectual Property (IP) Insights

Detailed patent analysis reveals key innovators, patent filing trends, and whitespace opportunities.
Avoid potential infringement risks and strengthen your own IP portfolio.