⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3283281 | 0.94 | — | — | |
| SCHEMBL8742645 | 0.93 | — | — | |
| SCHEMBL3280611 | 0.86 | — | — | |
| SCHEMBL8743737 | 0.81 | FFAR1 (0.31) | — | |
| SCHEMBL3285642 | 0.78 | FFAR1 (0.33) | — | |
| SCHEMBL12055974 | 0.76 | — | — | |
| SCHEMBL3285983 | 0.76 | PTGS1 (0.31) | — | |
| SCHEMBL8898363 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL12055961 | 0.71 | — | — | |
| SCHEMBL8743404 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8975300-B2 | Ketone compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. (US) | 2015-03-10 | — | — | US | disclosed |
| US-20140228439-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2014-08-14 | — | — | US | disclosed |
| US-8642653-B2 | Ketone compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-20120129930-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2012-05-24 | — | — | US | disclosed |