⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6251355 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7035773 | 0.97 | GAA (0.48) | — | |
| SCHEMBL7799932 | 0.92 | GAA (0.54) | — | |
| SCHEMBL9348141 | 0.74 | — | — | |
| SCHEMBL23503287 | 0.72 | GAA (0.52) | — | |
| SCHEMBL7886644 | 0.72 | GAA (0.52) | — | |
| SCHEMBL7881588 | 0.72 | GBA1 (0.41) | — | |
| SCHEMBL8262448 | 0.72 | GAA (0.52) | — | |
| SCHEMBL3380415 | 0.72 | GAA (0.52) | — | |
| SCHEMBL9710934 | 0.72 | GBA1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012080286-A9 | DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER | L'OREAL (FR) | 2013-01-31 | — | — | WO | claimed |
| WO-2012080286-A2 | DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | claimed |
| EP-2170260-A1 | AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES | L'Oreal (FR) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009000753-A1 | AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES | L'OREAL (FR) | 2008-12-31 | — | — | WO | disclosed |