⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12589405 | 0.94 | — | — | |
| SCHEMBL12589394 | 0.88 | — | — | |
| SCHEMBL12589427 | 0.86 | — | — | |
| SCHEMBL12589418 | 0.85 | — | — | |
| SCHEMBL12589391 | 0.83 | MAPT (0.36) | — | |
| SCHEMBL12168358 | 0.81 | APP (0.31) | — | |
| Hydrochloric Acid SCHEMBL2058314 | 0.81 | APP (0.33) | — | |
| SCHEMBL12589478 | 0.80 | HDAC3 (0.32) | — | |
| SCHEMBL12168596 | 0.79 | — | — | |
| SCHEMBL12589426 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7967872-B2 | Azo quinolinium compounds comprising a disulphide/thiol unit, compositions containing same, process for dyeing keratin fibres and device | L'OREAL S.A. (FR) | 2011-06-28 | — | — | US | disclosed |
| US-20100263139-A1 | AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE | L'OREAL S.A. (FR) | 2010-10-21 | — | — | US | disclosed |