⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6494962 | 0.99 | — | — | |
| SCHEMBL6599196 | 0.88 | GFER (0.32) | — | |
| Hydrochloric Acid SCHEMBL6098345 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL5850115 | 0.77 | GBA1 (0.37) | — | |
| SCHEMBL2928477 | 0.76 | FFAR1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6097446 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6506234 | 0.75 | FFAR1 (0.38) | — | |
| SCHEMBL2928844 | 0.72 | FFAR1 (0.38) | — | |
| SCHEMBL6600547 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6495408 | 0.71 | FFAR1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1396486-A1 | Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres | L'OREAL (FR) | 2004-03-10 | — | — | EP | claimed |
| EP-1728500-B1 | Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye | OREAL (FR) | 2010-01-27 | — | — | EP | disclosed |
| EP-1728500-A1 | Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye | L'OREAL (FR) | 2006-12-06 | — | — | EP | disclosed |
| EP-1396486-A1 | Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres | L'OREAL (FR) | 2004-03-10 | — | — | EP | disclosed |