⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7207381 | 0.71 | ELANE (0.32) | — | |
| SCHEMBL6720403 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL6711509 | 0.62 | PPARA (0.37) | — | |
| SCHEMBL2737000 | 0.60 | RIPK1 (0.56) | — | |
| SCHEMBL31020259 | 0.58 | LTB4R (0.43) | — | |
| SCHEMBL10257325 | 0.58 | ACACB (0.49) | — | |
| SCHEMBL25995645 | 0.57 | ACACB (0.51) | — | |
| SCHEMBL4469149 | 0.56 | PTGES2 (0.51) | — | |
| SCHEMBL22921420 | 0.56 | SLC13A5 (0.50) | — | |
| SCHEMBL2718566 | 0.55 | ACACB (0.52) | — |
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-1366024-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002030882-A2 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |