⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15041230 | 0.90 | CASP1 (0.31) | — | |
| SCHEMBL15546081 | 0.87 | CASP1 (0.33) | — | |
| SCHEMBL14785413 | 0.84 | CHRM2 (0.35) | — | |
| SCHEMBL15545785 | 0.77 | CASP1 (0.35) | — | |
| SCHEMBL14784864 | 0.74 | CHRM2 (0.37) | — | |
| SCHEMBL15041145 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL15041154 | 0.71 | CHRM2 (0.35) | — | |
| SCHEMBL20855905 | 0.69 | CHRM2 (0.36) | — | |
| SCHEMBL15041148 | 0.69 | HPGD (0.35) | — | |
| SCHEMBL1982911 | 0.69 | HRH3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150150766-A1 | CATIONIC PARA-PHENYLENEDIAMINES, COMPOSITION COMPRISING AT LEAST SUCH COMPOUNDS, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2015-06-04 | — | — | US | disclosed |
| WO-2013087934-A1 | CATIONIC PARA-PHENYLENEDIAMINES, COMPOSITION COMPRISING AT LEAST SUCH COMPOUNDS, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2013-06-20 | — | — | WO | disclosed |