⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12168358 | 0.95 | APP (0.31) | — | |
| Hydrochloric Acid SCHEMBL2058314 | 0.94 | APP (0.33) | — | |
| SCHEMBL12168355 | 0.89 | — | — | |
| SCHEMBL12589394 | 0.87 | — | — | |
| SCHEMBL12168475 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL12589391 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL12589405 | 0.81 | — | — | |
| SCHEMBL12589393 | 0.81 | APP (0.35) | — | |
| SCHEMBL12589426 | 0.79 | — | — | |
| SCHEMBL12589477 | 0.79 | — | — |
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-2201070-B1 | AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE | OREAL (FR) | 2011-11-09 | — | — | EP | disclosed |