⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6508694 | 0.85 | AKR1B1 (0.32) | — | |
| SCHEMBL6345890 | 0.80 | AKR1B1 (0.33) | — | |
| SCHEMBL7201326 | 0.79 | — | — | |
| SCHEMBL6205844 | 0.79 | AKR1B1 (0.36) | — | |
| SCHEMBL7201319 | 0.79 | — | — | |
| SCHEMBL12094493 | 0.77 | LTB4R (0.38) | — | |
| SCHEMBL6390161 | 0.74 | AKR1B1 (0.34) | — | |
| SCHEMBL8745050 | 0.72 | AKR1B1 (0.31) | — | |
| SCHEMBL14269159 | 0.72 | LTB4R (0.34) | — | |
| SCHEMBL12092722 | 0.70 | LTB4R (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002030882-A9 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | disclosed |