⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9363666 | 0.85 | — | — | |
| SCHEMBL9363635 | 0.75 | — | — | |
| Sulfuric Acid SCHEMBL29113727 | 0.73 | — | — | |
| SCHEMBL9368810 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL28904639 | 0.70 | — | — | |
| SCHEMBL7535870 | 0.69 | — | — | |
| SCHEMBL3463199 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL5357276 | 0.68 | — | — | |
| Sulfuric Acid SCHEMBL8644374 | 0.65 | — | — | |
| SCHEMBL29074293 | 0.65 | — | — |
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-0345728-B1 | Dye composition for keratinous fiber | KAO CORP (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5047066-A | Dye composition for keratinous fibers containing a 2-substituted 4-aminophenol compound as a developer, and a coupling substance | KAO CORPORATION (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0345728-A2 | Dye composition for keratinous fiber | Kao Corporation (JP) | 1989-12-13 | — | — | EP | disclosed |