⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6575463 | 0.79 | THRB (0.39) | — | |
| SCHEMBL11609338 | 0.76 | THRB (0.35) | — | |
| SCHEMBL1536412 | 0.72 | — | — | |
| SCHEMBL1096254 | 0.72 | — | — | |
| SCHEMBL20591918 | 0.72 | — | — | |
| SCHEMBL724422 | 0.72 | — | — | |
| SCHEMBL1536346 | 0.72 | — | — | |
| SCHEMBL14715258 | 0.72 | — | — | |
| SCHEMBL718991 | 0.72 | — | — | |
| SCHEMBL14715163 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0860436-B1 | Compounds containing triazine ring | SOLVAY SOLEXIS SPA (IT) | 2004-05-06 | — | — | EP | disclosed |
| US-5910587-A | Compounds containing triazine ring | AUSIMONT S.P.A. (IT) | 1999-06-08 | — | — | US | disclosed |
| EP-0860436-A1 | Compounds containing triazine ring | Ausimont S.p.A. (IT) | 1998-08-26 | — | — | EP | disclosed |