⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15039801 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL17249641 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL15020195 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL15039675 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL15020197 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL17249642 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL15020129 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL15020128 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL17253269 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL17253354 | 0.69 | APAF1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9554977-B2 | Triaromatic azomethine direct dyes, dye composition comprising at least one such dye, method of implementation and use | L'OREAL (FR) | 2017-01-31 | — | — | US | disclosed |
| US-9554977-B2 | Triaromatic azomethine direct dyes, dye composition comprising at least one such dye, method of implementation and use | L'OREAL (FR) | 2017-01-31 | — | — | US | disclosed |
| US-20150320660-A1 | TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE | L'OREAL (FR) | 2015-11-12 | — | — | US | disclosed |
| US-20150320660-A1 | TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE | L'OREAL (FR) | 2015-11-12 | — | — | US | disclosed |