⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9701414 | 1.00 | — | — | |
| SCHEMBL9702682 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL9702672 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL9529511 | 0.83 | PDE7A (0.30) | — | |
| SCHEMBL9526095 | 0.81 | ALOX5 (0.36) | — | |
| SCHEMBL9526087 | 0.81 | ALOX5 (0.36) | — | |
| SCHEMBL9525396 | 0.77 | ALDH1A1 (0.49) | — | |
| SCHEMBL9525387 | 0.77 | ALDH1A1 (0.49) | — | |
| SCHEMBL9701433 | 0.76 | PDE5A (0.33) | — | |
| SCHEMBL9701439 | 0.76 | PDE5A (0.33) | — |
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 |