⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11387255 | 0.72 | — | — | |
| SCHEMBL11788908 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL11789567 | 0.68 | GAA (0.40) | — | |
| SCHEMBL11388638 | 0.68 | — | — | |
| SCHEMBL18719355 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL442754 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL30776799 | 0.62 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8534995 | 0.61 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8537064 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL29238015 | 0.60 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3997546-A | HAIR DYE | SOCIETE ANONYME DITE: L'OREAL (FR) | 1976-12-14 | — | — | US | claimed |