⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6255716 | 0.95 | GRM4 (0.32) | — | |
| SCHEMBL6899692 | 0.85 | GRM4 (0.32) | — | |
| SCHEMBL6256378 | 0.82 | GRM4 (0.35) | — | |
| SCHEMBL6258025 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL3280206 | 0.76 | — | — | |
| SCHEMBL13053719 | 0.76 | — | — | |
| SCHEMBL6345202 | 0.76 | BHMT (0.33) | — | |
| SCHEMBL1978790 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL6503166 | 0.73 | FDPS (0.30) | — | |
| SCHEMBL6895588 | 0.73 | SMPD1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004529069-A | — | — | 2004-09-24 | — | — | JP | claimed |
| EP-1351916-A2 | ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-10-15 | — | — | EP | claimed |
| WO-2002030863-A2 | ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | claimed |