⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15039274 | 0.88 | KDR (0.38) | — | |
| SCHEMBL15039273 | 0.87 | S100B (0.31) | — | |
| SCHEMBL15039376 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL15039275 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL15020216 | 0.81 | — | — | |
| SCHEMBL11391477 | 0.80 | MAPT (0.35) | — | |
| SCHEMBL15039378 | 0.76 | DNM1 (0.36) | — | |
| SCHEMBL15039276 | 0.76 | — | — | |
| SCHEMBL15020242 | 0.76 | KDR (0.34) | — | |
| SCHEMBL17751331 | 0.76 | — | — |
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 6 patents. 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 | claimed |
| 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 |
| 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 |
| US-9233057-B2 | Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof | L'OREAL (FR) | 2016-01-12 | — | — | US | disclosed |
| US-20140360523-A1 | PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2014-12-11 | — | — | US | disclosed |
| WO-2013087770-A1 | PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2013-06-20 | — | — | WO | disclosed |