⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6505404 | 0.95 | — | — | |
| SCHEMBL6702673 | 0.89 | — | — | |
| SCHEMBL6690670 | 0.88 | TYR (0.37) | — | |
| SCHEMBL6899753 | 0.88 | TYR (0.37) | — | |
| SCHEMBL6689419 | 0.84 | — | — | |
| SCHEMBL6506819 | 0.83 | TYR (0.37) | — | |
| SCHEMBL6713053 | 0.80 | — | — | |
| SCHEMBL6534145 | 0.78 | — | — | |
| SCHEMBL6707590 | 0.78 | — | — | |
| SCHEMBL13053964 | 0.78 | ACACB (0.31) | — |
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 2 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 |