⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6527894 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL6394329 | 0.74 | HRH4 (0.31) | — | |
| SCHEMBL6391382 | 0.72 | HRH4 (0.30) | — | |
| SCHEMBL6200486 | 0.71 | ACACB (0.32) | — | |
| SCHEMBL20915217 | 0.70 | CNR2 (0.34) | — | |
| SCHEMBL20936416 | 0.70 | CNR2 (0.34) | — | |
| SCHEMBL20915250 | 0.70 | CNR2 (0.34) | — | |
| SCHEMBL20936474 | 0.70 | CNR2 (0.34) | — | |
| SCHEMBL20915457 | 0.70 | CNR2 (0.34) | — | |
| SCHEMBL20915211 | 0.70 | CNR2 (0.34) | — |
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-2005068420-A1 | UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |