⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5655202 | 0.86 | — | — | |
| SCHEMBL74210 | 0.74 | — | — | |
| SCHEMBL1132826 | 0.69 | NPC1 (0.34) | — | |
| SCHEMBL28250520 | 0.67 | — | — | |
| SCHEMBL10379020 | 0.67 | PTGS1 (0.36) | — | |
| SCHEMBL546776 | 0.67 | — | — | |
| SCHEMBL9653242 | 0.64 | KDM4E (0.30) | — | |
| SCHEMBL9449560 | 0.60 | — | — | |
| SCHEMBL4982333 | 0.59 | — | — | |
| SCHEMBL8017950 | 0.59 | ALOX15 (0.33) | — |
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-1066022-B1 | COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS | OREAL (FR) | 2003-10-22 | — | — | EP | claimed |
| US-6544298-B1 | Dyeing human hair using coupler | L'OREAL (FR) | 2003-04-08 | — | — | US | claimed |
| US-6544298-B1 | Dyeing human hair using coupler | L'OREAL (FR) | 2003-04-08 | — | — | US | disclosed |