⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19177095 | 0.81 | — | — | |
| SCHEMBL23308473 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL9004468 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL19295449 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL21371032 | 0.72 | ATM (0.38) | — | |
| SCHEMBL12313623 | 0.72 | PAX8 (0.33) | — | |
| SCHEMBL24419733 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL24322027 | 0.69 | PAX8 (0.32) | — | |
| SCHEMBL23604701 | 0.68 | — | — | |
| SCHEMBL19918792 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10919850-B2 | Covalent inhibitors of KRas G12C | ARAXES PHARMA LLC (US) | 2021-02-16 | — | — | US | disclosed |