⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7210996 | 0.95 | — | — | |
| SCHEMBL6892136 | 0.92 | — | — | |
| SCHEMBL6702353 | 0.87 | GRM4 (0.31) | — | |
| SCHEMBL6708693 | 0.81 | SMPD1 (0.30) | — | |
| SCHEMBL7208357 | 0.81 | — | — | |
| SCHEMBL6697947 | 0.80 | SMPD1 (0.31) | — | |
| SCHEMBL6893072 | 0.77 | — | — | |
| SCHEMBL7202260 | 0.77 | — | — | |
| SCHEMBL6709822 | 0.76 | GRM4 (0.33) | — | |
| SCHEMBL6502059 | 0.75 | GRM4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004531459-A | — | — | 2004-10-14 | — | — | JP | claimed |
| EP-1366024-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-12-03 | — | — | EP | claimed |
| WO-2002030882-A9 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | claimed |
| WO-2002030882-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | claimed |