⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9129890 | 0.77 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL49488 | 0.69 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL9464948 | 0.67 | — | — | |
| 5,6-Dihydro-2(1H)-Pyridinone SCHEMBL31482438 | 0.67 | — | — | |
| SCHEMBL3675358 | 0.67 | GSK3A (0.47) | — | |
| SCHEMBL3675360 | 0.67 | GSK3A (0.47) | — | |
| SCHEMBL2598095 | 0.65 | — | — | |
| SCHEMBL308103 | 0.63 | — | — | |
| SCHEMBL5314603 | 0.62 | — | — | |
| SCHEMBL651905 | 0.61 | — | — |
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-115869308-B | Application of small molecular compound in preparation of anti-colorectal cancer drugs | 中山大学肿瘤防治中心（中山大学附属肿瘤医院、中山大学肿瘤研究所） | 2024-03-26 | — | — | CN | disclosed |