⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5391216 | 0.78 | — | — | |
| SCHEMBL5380427 | 0.74 | — | — | |
| SCHEMBL5376858 | 0.70 | LPO (0.32) | — | |
| SCHEMBL9725941 | 0.58 | — | — | |
| SCHEMBL5278410 | 0.55 | NPC1 (0.41) | — | |
| SCHEMBL5280107 | 0.55 | — | — | |
| SCHEMBL5291138 | 0.55 | NPC1 (0.41) | — | |
| SCHEMBL5172921 | 0.49 | — | — | |
| SCHEMBL211089 | 0.48 | — | — | |
| SCHEMBL5173116 | 0.46 | — | — |
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-7294151-B2 | Means and method for dyeing keratin fibres | WELLA AG (DE) | 2007-11-13 | — | — | US | disclosed |
| US-20060070190-A1 | Means and method for dyeing keratin fibres | KOYO SEIKO CO., LTD. (JP) | 2006-04-06 | — | — | US | disclosed |