⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7205821 | 0.79 | FAAH (0.38) | — | |
| SCHEMBL7201573 | 0.77 | FAAH (0.43) | — | |
| SCHEMBL6708509 | 0.64 | ACLY (0.48) | — | |
| SCHEMBL7200186 | 0.63 | — | — | |
| SCHEMBL6503462 | 0.63 | ACLY (0.47) | — | |
| SCHEMBL6533662 | 0.62 | — | — | |
| SCHEMBL22956013 | 0.62 | FAAH (0.41) | — | |
| SCHEMBL20844358 | 0.62 | FDPS (0.39) | — | |
| SCHEMBL8897279 | 0.61 | FAAH (0.57) | — | |
| SCHEMBL1870128 | 0.61 | FAAH (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002030882-A9 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | claimed |
| EP-1366024-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002030882-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |