⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12629751 | 0.69 | — | — | |
| SCHEMBL10246963 | 0.69 | — | — | |
| SCHEMBL12365284 | 0.68 | — | — | |
| SCHEMBL3292052 | 0.64 | MAPT (0.37) | — | |
| SCHEMBL12257159 | 0.64 | — | — | |
| SCHEMBL15020363 | 0.64 | — | — | |
| SCHEMBL19636556 | 0.62 | — | — | |
| SCHEMBL21418200 | 0.61 | — | — | |
| SCHEMBL12798230 | 0.61 | — | — | |
| SCHEMBL11658096 | 0.61 | DNM1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2791252-A1 | TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE | L'OREAL (FR) | 2014-10-22 | — | — | EP | disclosed |
| WO-2013087768-A1 | TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE | L'OREAL (FR) | 2013-06-20 | — | — | WO | disclosed |