⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6692921 | 0.95 | BHMT (0.32) | — | |
| SCHEMBL6516745 | 0.90 | BHMT (0.33) | — | |
| SCHEMBL6532051 | 0.81 | — | — | |
| SCHEMBL6695659 | 0.78 | — | — | |
| SCHEMBL6691517 | 0.78 | — | — | |
| SCHEMBL6345455 | 0.73 | FFAR1 (0.39) | — | |
| SCHEMBL6512459 | 0.72 | — | — | |
| SCHEMBL11342528 | 0.71 | FFAR1 (0.41) | — | |
| SCHEMBL6354570 | 0.70 | — | — | |
| SCHEMBL10257254 | 0.69 | FFAR1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004532799-A | — | — | 2004-10-28 | — | — | JP | claimed |
| EP-1363879-A2 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002030884-A2 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | claimed |
| WO-2005068418-A1 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |