⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21465420 | 0.73 | — | — | |
| SCHEMBL1460167 | 0.71 | KMT2A (0.49) | — | |
| SCHEMBL3435938 | 0.69 | — | — | |
| SCHEMBL8817066 | 0.69 | PLA2G4B (0.34) | — | |
| SCHEMBL2050241 | 0.69 | — | — | |
| SCHEMBL20516286 | 0.68 | — | — | |
| SCHEMBL11830624 | 0.68 | KMT2A (0.47) | — | |
| SCHEMBL21627599 | 0.68 | L3MBTL1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28226759 | 0.67 | — | — | |
| SCHEMBL31555097 | 0.66 | HTR7 (0.49) | — |
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-118284610-A | Pyrazolotriazine derivatives as CDK9 inhibitors | 原真股份有限公司 | 2024-07-02 | — | — | CN | disclosed |