⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL735648 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL4758884 | 0.75 | — | — | |
| SCHEMBL736526 | 0.73 | — | — | |
| SCHEMBL2140465 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL22973767 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL1882541 | 0.62 | HCAR2 (0.52) | — | |
| SCHEMBL1882539 | 0.62 | HCAR2 (0.52) | — | |
| SCHEMBL6349968 | 0.61 | — | — | |
| SCHEMBL22973768 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL1882127 | 0.60 | CASP1 (0.36) | — |
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-2008013417-A1 | PHOSPHATE-BASED ACRYLATE CROSSLINKING AGENT FOR POLYMER ELECTROLYTE AND A COMPOSITION CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-01-31 | — | — | WO | disclosed |