⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22994708 | 0.64 | HTR2A (0.34) | — | |
| SCHEMBL25021702 | 0.62 | — | — | |
| SCHEMBL24730675 | 0.59 | CHRNB4 (0.41) | — | |
| SCHEMBL24730879 | 0.58 | CHRNB4 (0.38) | — | |
| SCHEMBL19637387 | 0.58 | HTR2A (0.43) | — | |
| SCHEMBL25020839 | 0.57 | CHRNB2 (0.43) | — | |
| SCHEMBL22360876 | 0.57 | HTT (0.36) | — | |
| SCHEMBL22725374 | 0.57 | KDM4E (0.30) | — | |
| SCHEMBL24731157 | 0.56 | CHRNB4 (0.45) | — | |
| SCHEMBL24652491 | 0.56 | CHRNB4 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3710439-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-02-15 | — | — | EP | disclosed |