⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1070455 | 0.89 | — | — | |
| SCHEMBL615921 | 0.89 | — | — | |
| SCHEMBL5207397 | 0.84 | EPHX2 (0.35) | — | |
| SCHEMBL5202026 | 0.84 | HIF1A (0.33) | — | |
| SCHEMBL5207134 | 0.84 | CYP1A2 (0.35) | — | |
| SCHEMBL5209694 | 0.83 | SOAT2 (0.39) | — | |
| SCHEMBL5207722 | 0.81 | SOAT2 (0.41) | — | |
| SCHEMBL5204053 | 0.81 | SOAT2 (0.41) | — | |
| SCHEMBL5204841 | 0.81 | SOAT2 (0.41) | — | |
| SCHEMBL16892578 | 0.81 | SOAT2 (0.41) | — |
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-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |