⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21896269 | 0.83 | CHRNB2 (0.36) | — | |
| SCHEMBL21912065 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL22994752 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL19637446 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL22994768 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL19636821 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL21912138 | 0.72 | CHRNB2 (0.40) | — | |
| SCHEMBL22994676 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL22086716 | 0.69 | CHRNB2 (0.44) | — | |
| SCHEMBL19637398 | 0.68 | CSF1R (0.32) | — |
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 |