April19 Discovery (April19), an artificial-intelligence-enabled drug discovery company, and CAS, a division of the American Chemical Society that specializes in scientific information solutions, have announced a collaboration to accelerate the identification of novel small-molecule therapeutic drug candidates. As part of this collaboration, CAS is using scientist-curated chemical substance and patent data from the CAS Content CollectionTM, as well as specialized chemical analytics, to prioritize leads generated by April19’s advanced AI-led drug discovery approach. By helping April19 advance the lead compounds that are most innovative and most likely to be patentable, this collaboration accelerates the company’s aspiration to address the growing need for targeted therapeutics to treat mental health conditions by capturing the untapped potential of psychedelics.
The estimated number of possible molecules with drug-like properties in the universe is astronomical (~1060). Generative AI approaches offer a powerful opportunity to quickly identify large numbers of these potential therapeutic candidates for a given disease target. Rapidly assessing the novelty of these candidates and the relevant patent landscape provides critical insight needed to prioritize the most viable candidates within these large opportunity pools to achieve efficient commercial development.
Results from the organizations’ first engagement demonstrate the impact of the collaboration. Within a set of candidates that passed April19’s initial viability screening criteria, CAS analysts identified a meaningful portion of the compounds as being very innovative. These candidates represent brand new molecular shapes not seen before. Additionally, a limited set of the compounds was identified as being previously disclosed or having a high-risk for overlap with existing patent claims.
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