⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7007461 | 0.80 | — | — | |
| SCHEMBL5705271 | 0.80 | — | — | |
| SCHEMBL5705287 | 0.76 | FFAR1 (0.33) | — | |
| SCHEMBL7025020 | 0.76 | FFAR1 (0.33) | — | |
| SCHEMBL5705384 | 0.75 | — | — | |
| SCHEMBL5705365 | 0.74 | — | — | |
| SCHEMBL7020289 | 0.74 | — | — | |
| SCHEMBL7094420 | 0.74 | — | — | |
| SCHEMBL7007273 | 0.72 | FFAR1 (0.33) | — | |
| SCHEMBL5705363 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1701931-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics, Inc. (US) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005068412-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |