⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6514353 | 0.73 | FFAR1 (0.33) | — | |
| SCHEMBL6060705 | 0.70 | ACACB (0.37) | — | |
| SCHEMBL5199718 | 0.70 | KDM4C (0.38) | — | |
| SCHEMBL19458805 | 0.68 | KDM4C (0.41) | — | |
| SCHEMBL194060 | 0.68 | NTRK2 (0.36) | — | |
| SCHEMBL7248706 | 0.68 | TDP1 (0.40) | — | |
| Butanol SCHEMBL29130295 | 0.68 | CA1 (0.39) | — | |
| SCHEMBL2418853 | 0.67 | GRM4 (0.38) | — | |
| SCHEMBL19458549 | 0.67 | KDM4C (0.43) | — | |
| SCHEMBL19458550 | 0.67 | KDM4C (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005068420-A1 | UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |