⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9700783 | 0.83 | — | — | |
| SCHEMBL3357754 | 0.81 | S1PR1 (0.32) | — | |
| SCHEMBL9700418 | 0.74 | CYP2A6 (0.34) | — | |
| SCHEMBL9530249 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL9701387 | 0.73 | CYP2C9 (0.47) | — | |
| SCHEMBL9702587 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL9700691 | 0.71 | PTGS2 (0.35) | — | |
| SCHEMBL13806632 | 0.71 | — | — | |
| SCHEMBL7644729 | 0.70 | PDE5A (0.47) | — | |
| SCHEMBL9526401 | 0.70 | PTPN1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992006085-A1 | PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-04-16 | — | — | WO | claimed |
| WO-1992006085-A1 | PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-04-16 | — | — | WO | disclosed |