⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30546680 | 0.77 | — | — | |
| SCHEMBL1265958 | 0.77 | — | — | |
| SCHEMBL2782354 | 0.74 | — | — | |
| SCHEMBL9550914 | 0.74 | — | — | |
| SCHEMBL9404670 | 0.72 | — | — | |
| SCHEMBL1076375 | 0.71 | — | — | |
| SCHEMBL5192025 | 0.69 | CYP1A2 (0.39) | — | |
| SCHEMBL7039147 | 0.68 | SLC6A2 (0.33) | — | |
| SCHEMBL28362075 | 0.67 | — | — | |
| SCHEMBL18862819 | 0.64 | TSHR (0.32) | — |
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-3502153-A1 | BLOCK COPOLYMERIZATION OF ETHYLENE BY COBALT-MEDIATED RADICAL POLYMERIZATION | Université de Liège (BE) | 2019-06-26 | — | — | EP | disclosed |