⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27117078 | 0.81 | SCN9A (0.35) | — | |
| SCHEMBL10994358 | 0.80 | — | — | |
| SCHEMBL26197003 | 0.80 | — | — | |
| SCHEMBL26727877 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL26580945 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL26580623 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL26727866 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL26727878 | 0.80 | KRAS (0.31) | — | |
| SCHEMBL24698529 | 0.79 | — | — | |
| SCHEMBL24649368 | 0.79 | — | — |
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-20240217982-A1 | KRAS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2024-07-04 | — | — | US | disclosed |