⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5207602 | 0.81 | CYP2D6 (0.37) | — | |
| SCHEMBL11421318 | 0.79 | CYP3A4 (0.31) | — | |
| SCHEMBL455750 | 0.77 | — | — | |
| SCHEMBL2362110 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL9322491 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL9185151 | 0.72 | LMNA (0.43) | — | |
| SCHEMBL24998 | 0.70 | KDM4E (0.35) | — | |
| SCHEMBL7665824 | 0.70 | — | — | |
| SCHEMBL9199013 | 0.69 | GABRA1 (0.31) | — | |
| SCHEMBL15636515 | 0.69 | DPP4 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |