⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15039275 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL15039280 | 0.74 | — | — | |
| SCHEMBL15039377 | 0.74 | KDR (0.36) | — | |
| SCHEMBL15039382 | 0.72 | DNM1 (0.44) | — | |
| SCHEMBL15039374 | 0.69 | DNM1 (0.61) | — | |
| SCHEMBL15020450 | 0.68 | DNM1 (0.39) | — | |
| SCHEMBL15039375 | 0.67 | DNM1 (0.43) | — | |
| SCHEMBL15020216 | 0.67 | — | — | |
| SCHEMBL16272076 | 0.66 | DNM1 (0.36) | — | |
| SCHEMBL15039277 | 0.66 | ALDH1A1 (0.39) | — |
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-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 |