⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6692628 | 0.92 | ACLY (0.36) | — | |
| Cyanamide SCHEMBL6709922 | 0.90 | ACLY (0.33) | — | |
| SCHEMBL6698281 | 0.88 | — | — | |
| SCHEMBL6713223 | 0.87 | — | — | |
| SCHEMBL8744579 | 0.81 | ACLY (0.38) | — | |
| SCHEMBL6692039 | 0.78 | FFAR1 (0.33) | — | |
| SCHEMBL6532772 | 0.78 | — | — | |
| SCHEMBL10267247 | 0.76 | — | — | |
| SCHEMBL6709907 | 0.75 | FFAR1 (0.30) | — | |
| SCHEMBL12094533 | 0.75 | ACACB (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |