⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502946 | 0.84 | — | — | |
| SCHEMBL2907731 | 0.82 | — | — | |
| SCHEMBL4490542 | 0.67 | — | — | |
| SCHEMBL6241521 | 0.66 | AKR1B1 (0.31) | — | |
| SCHEMBL7444060 | 0.65 | — | — | |
| SCHEMBL11880673 | 0.65 | — | — | |
| SCHEMBL7418077 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL18496109 | 0.64 | — | — | |
| SCHEMBL1493104 | 0.64 | — | — | |
| SCHEMBL10585079 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5049642-A | Polyethers, polythioethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-09-17 | — | — | US | disclosed |
| EP-0375287-A2 | Aromatic polymers | NORTH WEST WATER GROUP PLC (GB) | 1990-06-27 | — | — | EP | disclosed |
| US-3979369-A | DIENE POLYMER | MONSANTO COMPANY (US) | 1976-09-07 | — | — | US | disclosed |