⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2856523 | 0.89 | — | — | |
| SCHEMBL2862668 | 0.88 | — | — | |
| SCHEMBL2853794 | 0.81 | TAS1R3 (0.34) | — | |
| SCHEMBL2857707 | 0.80 | HPGD (0.31) | — | |
| SCHEMBL2859618 | 0.76 | POLB (0.39) | — | |
| SCHEMBL2851494 | 0.76 | — | — | |
| SCHEMBL2862848 | 0.75 | — | — | |
| SCHEMBL2854415 | 0.74 | KEAP1 (0.33) | — | |
| SCHEMBL2861176 | 0.74 | RECQL (0.33) | — | |
| SCHEMBL2856521 | 0.74 | HMGCR (0.33) | — |
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-1652554-B1 | Composition comprising at least one carboycanine, process of treating keratinic fibres, kit and use of said composition | OREAL (FR) | 2010-01-13 | — | — | EP | claimed |