⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27614937 | 0.80 | — | — | |
| SCHEMBL7036514 | 0.78 | HPGD (0.36) | — | |
| SCHEMBL27778573 | 0.78 | — | — | |
| SCHEMBL9750853 | 0.75 | — | — | |
| SCHEMBL24187935 | 0.74 | — | — | |
| SCHEMBL9750749 | 0.72 | — | — | |
| SCHEMBL18435824 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL5182438 | 0.71 | — | — | |
| SCHEMBL3624651 | 0.71 | — | — | |
| SCHEMBL13923483 | 0.70 | PTGS1 (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 |
|---|---|---|---|---|---|---|---|
| CN-109803968-A | Pyridopyrimidinone CDK2/4/6 inhibitor | 辉瑞公司 | 2019-05-24 | — | — | CN | disclosed |