⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17745047 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL15039279 | 0.72 | — | — | |
| SCHEMBL17745046 | 0.68 | DNM1 (0.39) | — | |
| SCHEMBL21814504 | 0.62 | ALDH1A1 (0.48) | — | |
| SCHEMBL6670733 | 0.57 | ALDH1A1 (0.47) | — | |
| SCHEMBL29711682 | 0.56 | ALDH1A1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL6669253 | 0.56 | ALDH1A1 (0.45) | — | |
| SCHEMBL2388601 | 0.53 | TDP1 (0.52) | — | |
| SCHEMBL2386760 | 0.53 | TDP1 (0.52) | — | |
| SCHEMBL29271698 | 0.52 | MAPT (0.54) | — |
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-2791106-B1 | PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF | OREAL (FR) | 2016-05-18 | — | — | EP | disclosed |