⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1799378 | 0.87 | — | — | |
| SCHEMBL1804129 | 0.86 | — | — | |
| SCHEMBL33886 | 0.80 | GAA (0.31) | — | |
| SCHEMBL1804385 | 0.74 | GAA (0.31) | — | |
| SCHEMBL1803754 | 0.66 | GAA (0.44) | — | |
| SCHEMBL1801014 | 0.66 | GAA (0.37) | — | |
| SCHEMBL33899 | 0.65 | GAA (0.42) | — | |
| SCHEMBL9051290 | 0.64 | HTR2C (0.34) | — | |
| Hydrochloric Acid SCHEMBL4669106 | 0.63 | GAA (0.41) | — | |
| SCHEMBL692596 | 0.63 | GAA (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0740931-B1 | Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation | OREAL (FR) | 1997-08-20 | — | — | EP | claimed |