⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13327503 | 0.89 | HDAC3 (0.31) | — | |
| SCHEMBL21005601 | 0.82 | KDM4A (0.34) | — | |
| SCHEMBL13327524 | 0.78 | HDAC3 (0.32) | — | |
| SCHEMBL3823380 | 0.78 | WDR91 (0.35) | — | |
| SCHEMBL3823383 | 0.78 | WDR91 (0.35) | — | |
| SCHEMBL13327498 | 0.78 | HDAC3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL3386424 | 0.77 | WDR91 (0.34) | — | |
| SCHEMBL2315089 | 0.77 | PTGS2 (0.45) | — | |
| SCHEMBL2315084 | 0.77 | PTGS2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL560375 | 0.76 | PTGS2 (0.44) | — |
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-2053094-B1 | Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition | OREAL (FR) | 2014-03-26 | — | — | EP | disclosed |