⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6708693 | 0.95 | SMPD1 (0.30) | — | |
| SCHEMBL6698353 | 0.94 | GRM4 (0.30) | — | |
| SCHEMBL6505637 | 0.92 | GRM4 (0.31) | — | |
| SCHEMBL6694650 | 0.91 | SMPD1 (0.31) | — | |
| SCHEMBL6502059 | 0.89 | GRM4 (0.32) | — | |
| SCHEMBL6702353 | 0.89 | GRM4 (0.31) | — | |
| SCHEMBL6709822 | 0.87 | GRM4 (0.33) | — | |
| SCHEMBL6690646 | 0.86 | SMPD1 (0.33) | — | |
| SCHEMBL7210996 | 0.84 | — | — | |
| SCHEMBL7169209 | 0.82 | SMPD1 (0.36) | — |
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 |