⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7203989 | 0.63 | — | — | |
| SCHEMBL6503923 | 0.63 | FFAR1 (0.54) | — | |
| SCHEMBL6533662 | 0.62 | — | — | |
| SCHEMBL6697864 | 0.62 | NAALAD2 (0.37) | — | |
| SCHEMBL2995746 | 0.60 | KMT2A (0.53) | — | |
| SCHEMBL6503943 | 0.60 | FFAR1 (0.55) | — | |
| SCHEMBL6709944 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL361586 | 0.59 | SOAT1 (0.36) | — | |
| SCHEMBL6505844 | 0.58 | — | — | |
| SCHEMBL6695512 | 0.58 | TSHR (0.41) | — |
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 |