⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3839768 | 0.90 | HPGD (0.33) | — | |
| Hydrochloric Acid SCHEMBL3853562 | 0.88 | HPGD (0.32) | — | |
| SCHEMBL17365401 | 0.86 | APP (0.32) | — | |
| SCHEMBL3841308 | 0.85 | HTR2B (0.31) | — | |
| Hydrochloric Acid SCHEMBL3855219 | 0.84 | — | — | |
| SCHEMBL17365403 | 0.84 | TLR8 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3858706 | 0.83 | HTR2B (0.30) | — | |
| SCHEMBL1840005 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL1838369 | 0.81 | KAT2B (0.35) | — | |
| Hydrochloric Acid SCHEMBL1838654 | 0.80 | KDM4E (0.32) | — |
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-2012080321-A2 | DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080324-A1 | DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |