⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22328034 | 0.79 | TLR9 (0.33) | — | |
| SCHEMBL20970415 | 0.76 | KDR (0.31) | — | |
| SCHEMBL22924153 | 0.75 | PROKR1 (0.32) | — | |
| SCHEMBL22924125 | 0.72 | — | — | |
| SCHEMBL22924128 | 0.72 | — | — | |
| SCHEMBL22924098 | 0.71 | LCK (0.32) | — | |
| SCHEMBL24592467 | 0.69 | — | — | |
| SCHEMBL19104231 | 0.69 | MAPK1 (0.32) | — | |
| SCHEMBL26420402 | 0.68 | — | — | |
| SCHEMBL24089504 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11377441-B2 | Covalent inhibitors of KRAS | ARAXES PHARMA LLC (US) | 2022-07-05 | — | — | US | disclosed |
| US-20210024501-A1 | COVALENT INHIBITORS OF KRAS | ARAXES PHARMA LLC | 2021-01-28 | — | — | US | disclosed |