⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20366104 | 0.86 | THRB (0.45) | — | |
| SCHEMBL14097664 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL3274864 | 0.76 | THRB (0.52) | — | |
| SCHEMBL16574839 | 0.75 | THRB (0.50) | — | |
| SCHEMBL12446422 | 0.74 | — | — | |
| SCHEMBL2773549 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL13765635 | 0.73 | LPAR3 (0.41) | — | |
| SCHEMBL22049913 | 0.73 | HSD17B10 (0.31) | — | |
| SCHEMBL3680829 | 0.73 | THRB (0.52) | — | |
| SCHEMBL23877328 | 0.71 | CYP3A4 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2545090-B1 | RAFT AQUEOUS POLYMERIZATION OF BLOCK POLYMERS | UNIV SHEFFIELD (GB) | 2018-07-11 | — | — | EP | disclosed |