⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58318 | 0.89 | — | — | |
| SCHEMBL1737554 | 0.89 | — | — | |
| SCHEMBL29285133 | 0.80 | — | — | |
| SCHEMBL1008371 | 0.80 | — | — | |
| SCHEMBL1981106 | 0.80 | — | — | |
| SCHEMBL28865006 | 0.80 | — | — | |
| SCHEMBL6891666 | 0.80 | — | — | |
| SCHEMBL58412 | 0.80 | — | — | |
| SCHEMBL7148695 | 0.80 | — | — | |
| SCHEMBL2879102 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230646-B1 | ENCAPSULATION OF WASTE | NUCLEAR DECOMMISSIONING AUTHOR (GB) | 2009-05-27 | — | — | EP | disclosed |
| US-7078581-B1 | Encapsulation of waste | BRITISH NUCLEAR FUELS PLC (GB) | 2006-07-18 | — | — | US | disclosed |
| EP-1230646-A2 | ENCAPSULATION OF WASTE | British Nuclear Fuels PLC (GB) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001035422-A2 | ENCAPSULATION OF WASTE | BRITISH NUCLEAR FUELS PLC (GB) | 2001-05-17 | — | — | WO | disclosed |