⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6511191 | 0.73 | TYR (0.31) | — | |
| SCHEMBL6346708 | 0.72 | TYR (0.30) | — | |
| SCHEMBL6347626 | 0.70 | TYR (0.31) | — | |
| SCHEMBL6697478 | 0.69 | TYR (0.30) | — | |
| SCHEMBL7158752 | 0.69 | — | — | |
| SCHEMBL6510473 | 0.68 | — | — | |
| SCHEMBL6344628 | 0.63 | TYR (0.46) | — | |
| SCHEMBL6343362 | 0.61 | TYR (0.46) | — | |
| SCHEMBL23870816 | 0.60 | — | — | |
| SCHEMBL24120650 | 0.59 | ESR1 (0.32) | — |
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-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 |