⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28118524 | 0.75 | MTNR1A (0.32) | — | |
| SCHEMBL31277126 | 0.72 | ANPEP (0.37) | — | |
| SCHEMBL5555218 | 0.72 | — | — | |
| SCHEMBL974052 | 0.69 | — | — | |
| SCHEMBL28610088 | 0.68 | CHRNB2 (0.53) | — | |
| SCHEMBL27548897 | 0.68 | — | — | |
| SCHEMBL21877077 | 0.68 | CYP2D6 (0.39) | — | |
| SCHEMBL28025797 | 0.68 | KDM4E (0.46) | — | |
| SCHEMBL29110385 | 0.67 | — | — | |
| SCHEMBL322313 | 0.67 | KMT2A (0.44) | — |
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-112778330-A | Pyridone-containing polycyclic derivative inhibitor, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-05-11 | — | — | CN | disclosed |