⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6512459 | 0.99 | — | — | |
| SCHEMBL6346394 | 0.96 | CYP4F2 (0.31) | — | |
| SCHEMBL6354569 | 0.87 | — | — | |
| SCHEMBL6346393 | 0.82 | ACLY (0.30) | — | |
| SCHEMBL6745449 | 0.81 | ACLY (0.38) | — | |
| SCHEMBL6698281 | 0.81 | — | — | |
| Cyanamide SCHEMBL6354571 | 0.78 | ACLY (0.35) | — | |
| SCHEMBL6504862 | 0.77 | ACLY (0.40) | — | |
| SCHEMBL6342955 | 0.76 | SMN1; SMN2 (0.30) | — | |
| Cyanamide SCHEMBL6346397 | 0.74 | ACLY (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005068418-A1 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
| US-20050020694-A1 | Sulfide and disulfide compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. | 2005-01-27 | — | — | US | disclosed |
| EP-1363879-A2 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002030884-A2 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |