⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20280485 | 0.90 | MEN1 (0.35) | — | |
| SCHEMBL24348970 | 0.89 | QPCT (0.33) | — | |
| SCHEMBL20280488 | 0.88 | MEN1 (0.34) | — | |
| SCHEMBL20280498 | 0.85 | MEN1 (0.30) | — | |
| SCHEMBL24349579 | 0.83 | QPCT (0.41) | — | |
| SCHEMBL20288337 | 0.83 | MEN1 (0.39) | — | |
| SCHEMBL24349152 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL20267798 | 0.82 | MEN1 (0.35) | — | |
| SCHEMBL20267791 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL20268996 | 0.82 | MEN1 (0.40) | — |
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-3555069-B1 | NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | OREAL (FR) | 2022-03-30 | — | — | EP | disclosed |
| WO-2018109192-A1 | NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF | L'OREAL (FR) | 2018-06-21 | — | — | WO | disclosed |