⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6512458 | 0.94 | CYP1A2 (0.35) | — | |
| SCHEMBL6709825 | 0.93 | — | — | |
| SCHEMBL6529267 | 0.83 | CYP1A2 (0.37) | — | |
| SCHEMBL7185176 | 0.81 | — | — | |
| SCHEMBL12200658 | 0.79 | CYP1A2 (0.39) | — | |
| SCHEMBL7185171 | 0.79 | — | — | |
| SCHEMBL6690715 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL6894892 | 0.76 | CHRM5 (0.37) | — | |
| SCHEMBL6694845 | 0.75 | CYP1A2 (0.54) | — | |
| SCHEMBL6531070 | 0.73 | CYP1A2 (0.51) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004531459-A | — | — | 2004-10-14 | — | — | JP | claimed |
| US-20040122091-A1 | Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. | 2004-06-24 | — | — | US | claimed |
| US-6673780-B2 | SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS | ESPERION THERAPEUTICS, INC. | 2004-01-06 | — | — | US | 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 | claimed |
| 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 |
| US-20030022865-A1 | Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. | 2003-01-30 | — | — | US | claimed |
| WO-2002030882-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | 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 |