⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29373274 | 0.75 | — | — | |
| SCHEMBL331198 | 0.75 | — | — | |
| SCHEMBL28693453 | 0.72 | CYP2A6 (0.43) | — | |
| SCHEMBL293328 | 0.72 | — | — | |
| SCHEMBL548060 | 0.72 | CYP2A6 (0.43) | — | |
| SCHEMBL29438518 | 0.72 | — | — | |
| SCHEMBL30929155 | 0.72 | CYP2A6 (0.43) | — | |
| Hydrochloric Acid SCHEMBL31606798 | 0.72 | CYP2A6 (0.43) | — | |
| SCHEMBL394229 | 0.72 | — | — | |
| SCHEMBL25970688 | 0.72 | CYP2A6 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0735110-B1 | Dye mixtures containing a hydroxypyridone azo dye | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2000-07-12 | — | — | EP | disclosed |
| EP-0735110-A1 | Dye mixtures containing a hydroxypyridone azo dye | DyStar Japan Ltd. (JP) | 1996-10-02 | — | — | EP | disclosed |