⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12168410 | 0.90 | HDAC3 (0.33) | — | |
| SCHEMBL12589416 | 0.87 | — | — | |
| SCHEMBL12589394 | 0.77 | — | — | |
| SCHEMBL12589405 | 0.75 | — | — | |
| SCHEMBL12589391 | 0.73 | MAPT (0.36) | — | |
| SCHEMBL13043639 | 0.72 | PSMD14 (0.30) | — | |
| SCHEMBL13294100 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL12168358 | 0.71 | APP (0.31) | — | |
| SCHEMBL13043625 | 0.71 | INSR (0.39) | — | |
| SCHEMBL12589477 | 0.70 | — | — |
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 3 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 |
| WO-2009034059-A2 | AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE | L'OREAL (FR) | 2009-03-19 | — | — | WO | disclosed |