⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7103049 | 0.78 | MAPT (0.34) | — | |
| SCHEMBL7095910 | 0.78 | MAPT (0.36) | — | |
| SCHEMBL7028592 | 0.75 | MAPT (0.36) | — | |
| SCHEMBL5705327 | 0.74 | MAPT (0.42) | — | |
| SCHEMBL5705372 | 0.71 | MAPT (0.42) | — | |
| SCHEMBL1899861 | 0.70 | CA2 (0.37) | — | |
| SCHEMBL19003499 | 0.69 | DNM1 (0.30) | — | |
| SCHEMBL17242795 | 0.68 | CYSLTR2 (0.36) | — | |
| SCHEMBL20824834 | 0.67 | OPRM1 (0.32) | — | |
| SCHEMBL6509570 | 0.67 | ALDH1A1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326822-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030860-A9 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2002030860-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |