⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1678255 | 0.81 | KCNN4 (0.32) | — | |
| SCHEMBL12478438 | 0.78 | — | — | |
| SCHEMBL6885474 | 0.75 | CYP2D6 (0.32) | — | |
| SCHEMBL3401104 | 0.73 | — | — | |
| SCHEMBL7804805 | 0.73 | — | — | |
| SCHEMBL12478227 | 0.71 | DDAH1 (0.30) | — | |
| SCHEMBL27292738 | 0.71 | — | — | |
| SCHEMBL7197318 | 0.71 | — | — | |
| SCHEMBL28129635 | 0.70 | — | — | |
| SCHEMBL30633885 | 0.69 | CYP2D6 (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 |
|---|---|---|---|---|---|---|---|
| EP-0108986-A1 | N-substituted flavone-8-carboxamides | Hokuriku Pharmaceutical Co.,Ltd (JP) | 1984-05-23 | — | — | EP | disclosed |