⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17751364 | 0.80 | KDR (0.30) | — | |
| SCHEMBL17751378 | 0.78 | KDR (0.31) | — | |
| SCHEMBL15039376 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL17751351 | 0.69 | — | — | |
| SCHEMBL17751349 | 0.67 | — | — | |
| SCHEMBL15039378 | 0.61 | DNM1 (0.36) | — | |
| SCHEMBL15039273 | 0.59 | S100B (0.31) | — | |
| SCHEMBL15020216 | 0.59 | — | — | |
| SCHEMBL15039275 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL15020450 | 0.56 | DNM1 (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 1 patent. 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 | disclosed |