⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7863684 | 0.79 | — | — | |
| SCHEMBL7861457 | 0.73 | POLB (0.32) | — | |
| SCHEMBL7863681 | 0.71 | POLB (0.34) | — | |
| SCHEMBL6928282 | 0.67 | POLB (0.33) | — | |
| SCHEMBL9550604 | 0.67 | GPR3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5702783 | 0.66 | POLB (0.32) | — | |
| SCHEMBL5702797 | 0.65 | GPR3 (0.33) | — | |
| SCHEMBL7863731 | 0.65 | GPR3 (0.38) | — | |
| SCHEMBL5473851 | 0.65 | GPR3 (0.33) | — | |
| SCHEMBL29732984 | 0.65 | KMT2A (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1141034-A2 | BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS | BP Chemicals Limited (GB) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000020462-A2 | BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS | BP CHEMICALS LIMITED (GB) | 2000-04-13 | — | — | WO | disclosed |