⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5705271 | 0.82 | — | — | |
| SCHEMBL6347088 | 0.76 | — | — | |
| SCHEMBL6512909 | 0.76 | — | — | |
| SCHEMBL6509711 | 0.69 | — | — | |
| SCHEMBL5708472 | 0.68 | — | — | |
| SCHEMBL23870816 | 0.65 | — | — | |
| SCHEMBL13053707 | 0.65 | — | — | |
| SCHEMBL6180113 | 0.63 | — | — | |
| SCHEMBL13053734 | 0.63 | — | — | |
| SCHEMBL6348537 | 0.60 | DAO (0.48) | — |
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-2005068418-A1 | SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |