⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9965023 | 0.94 | KDM5A (0.32) | — | |
| SCHEMBL9965025 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL18975530 | 0.78 | ESR1 (0.35) | — | |
| SCHEMBL9964967 | 0.75 | PIM1 (0.30) | — | |
| SCHEMBL9964960 | 0.75 | — | — | |
| SCHEMBL9964979 | 0.75 | CYP19A1 (0.42) | — | |
| SCHEMBL9965004 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL9964976 | 0.73 | RAB9A (0.34) | — | |
| SCHEMBL17364542 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL9940828 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651889-A1 | 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES | L'Oréal (FR) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080285-A2 | DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A 4-AMINOINDOLE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080288-A1 | 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |