⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30918120 | 1.00 | — | — | |
| SCHEMBL30918111 | 1.00 | — | — | |
| SCHEMBL24894448 | 1.00 | — | — | |
| SCHEMBL30918095 | 0.75 | — | — | |
| SCHEMBL30918091 | 0.75 | — | — | |
| SCHEMBL30985508 | 0.75 | — | — | |
| SCHEMBL30985755 | 0.75 | — | — | |
| SCHEMBL30918070 | 0.75 | — | — | |
| SCHEMBL24894319 | 0.75 | — | — | |
| SCHEMBL30696121 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117980310-A | Alkylene derivatives as KRAS inhibitors | 尼坎治疗公司 | 2024-05-03 | — | — | CN | disclosed |