⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4622357 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL4621569 | 0.74 | HSD17B10 (0.37) | — | |
| SCHEMBL4821904 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL4619968 | 0.58 | CNR2 (0.38) | — | |
| SCHEMBL16189392 | 0.53 | — | — | |
| SCHEMBL18529403 | 0.53 | — | — | |
| SCHEMBL22403737 | 0.52 | ALDH1A1 (0.44) | — | |
| Duroquinone SCHEMBL9134466 | 0.46 | MAOA (0.31) | — | |
| Hydrochloric Acid SCHEMBL5235520 | 0.41 | NOS1 (0.36) | — | |
| Ethylamine SCHEMBL10938903 | 0.41 | — | — |
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-7326254-B2 | Means and method for the simultaneous bleaching and dyeing of keratin fibres | WELLA AG (DE) | 2008-02-05 | — | — | US | disclosed |
| US-20060162096-A1 | Means and method for the simultaneous bleaching and dyeing of keratin fibres | HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) | 2006-07-27 | — | — | US | disclosed |