⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6510213 | 0.93 | — | — | |
| SCHEMBL12026607 | 0.82 | PTGS1 (0.36) | — | |
| SCHEMBL6505844 | 0.77 | — | — | |
| SCHEMBL8743404 | 0.72 | — | — | |
| SCHEMBL12026620 | 0.70 | APP (0.41) | — | |
| SCHEMBL12026621 | 0.69 | APP (0.39) | — | |
| SCHEMBL6507038 | 0.69 | — | — | |
| SCHEMBL3181517 | 0.68 | PTGS1 (0.35) | — | |
| SCHEMBL6694208 | 0.68 | — | — | |
| SCHEMBL16685051 | 0.66 | PTGS1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |