⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3840396 | 0.92 | — | — | |
| SCHEMBL3837848 | 0.91 | CYP2D6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3855200 | 0.90 | — | — | |
| SCHEMBL18975389 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL3853779 | 0.89 | — | — | |
| SCHEMBL10118566 | 0.88 | — | — | |
| SCHEMBL3841228 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3851977 | 0.86 | — | — | |
| SCHEMBL17365401 | 0.80 | APP (0.32) | — | |
| SCHEMBL17365403 | 0.78 | TLR8 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012080286-A9 | DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER | L'OREAL (FR) | 2013-01-31 | — | — | WO | disclosed |
| WO-2012080286-A2 | DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |