⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7559774 | 0.80 | HTT (0.35) | — | |
| SCHEMBL25416442 | 0.79 | — | — | |
| SCHEMBL7073741 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL27511449 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL5586924 | 0.76 | GAA (0.52) | — | |
| SCHEMBL23027 | 0.76 | — | — | |
| SCHEMBL28176459 | 0.76 | — | — | |
| SCHEMBL6027840 | 0.75 | HTT (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL27880728 | 0.74 | — | — | |
| Ethylene SCHEMBL6311174 | 0.74 | GAA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6758866-B2 | AQUEOUS SOLUTION OF CHELATE COMPOUND, OXIDATION COLOR DYE AND COUPLER | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2004-07-06 | — | — | US | disclosed |
| US-20030135935-A1 | Enhanced color deposition for hair with sequestering agents | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2003-07-24 | — | — | US | disclosed |