⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11388638 | 0.84 | — | — | |
| SCHEMBL11383936 | 0.77 | MEN1 (0.39) | — | |
| SCHEMBL11834733 | 0.72 | — | — | |
| SCHEMBL11788908 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL11789567 | 0.69 | GAA (0.40) | — | |
| SCHEMBL10782066 | 0.67 | MAPT (0.36) | — | |
| SCHEMBL11388623 | 0.66 | DNM1 (0.38) | — | |
| SCHEMBL18719355 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL30776799 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL442754 | 0.63 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4260749-A | HAIR DYES | L'OREAL (FR) | 1981-04-07 | — | — | US | disclosed |
| US-4204059-A | HAIR DYES | L'OREAL (FR) | 1980-05-20 | — | — | US | disclosed |
| US-4084052-A | HAIR DYES | L'OREAL (FR) | 1978-04-11 | — | — | US | disclosed |
| US-4023926-A | Diaminobenzoquinones in hair dye compositions | SOCIETE ANONYME DITE: L'OREAL (FR) | 1977-05-17 | — | — | US | disclosed |