⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8864151 | 0.66 | CA1 (0.31) | — | |
| SCHEMBL16685040 | 0.65 | HTR2C (0.41) | — | |
| SCHEMBL2263042 | 0.64 | HTR2A (0.35) | — | |
| SCHEMBL4914480 | 0.63 | PARP1 (0.46) | — | |
| SCHEMBL21707867 | 0.62 | CA1 (0.49) | — | |
| SCHEMBL2631582 | 0.62 | CA1 (0.49) | — | |
| SCHEMBL20863846 | 0.61 | MAPKAPK2 (0.35) | — | |
| SCHEMBL12669494 | 0.60 | HTR2C (0.51) | — | |
| SCHEMBL16684948 | 0.60 | MAPKAPK2 (0.38) | — | |
| SCHEMBL12475876 | 0.60 | CHRNB2 (0.40) | — |
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-1739073-A1 | New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers | L'Oréal (FR) | 2007-01-03 | — | — | EP | disclosed |