⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL22289073 | 1.00 | — | — | |
| SCHEMBL78716 | 0.94 | CA1 (0.50) | — | |
| SCHEMBL9181149 | 0.94 | — | — | |
| SCHEMBL1781916 | 0.94 | — | — | |
| SCHEMBL815 | 0.94 | — | — | |
| Bicarbonate SCHEMBL2591362 | 0.88 | — | — | |
| SCHEMBL6915454 | 0.88 | — | — | |
| SCHEMBL8837465 | 0.88 | CA1 (0.44) | — | |
| SCHEMBL17102795 | 0.88 | — | — | |
| Water SCHEMBL6150200 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102361889-B | Raft polymerisation | COMMW SCIENT IND RES ORG | 2014-09-17 | — | — | CN | disclosed |
| CN-102361889-A | Raft polymerisation | COMMW SCIENT IND RES ORG | 2012-02-22 | — | — | CN | disclosed |
| EP-0307358-B1 | 1,3-DIKETONES CONTAINING ETHERS OR THIOETHERS AND THEIR USE AS STABILISING AGENTS IN CHLORINATED POLYMERS | CIBA-GEIGY AG (CH) | 1992-02-12 | — | — | EP | disclosed |
| EP-0307358-A1 | 1,3-Diketones containing ethers or thioethers and their use as stabilising agents in chlorinated polymers | CIBA-GEIGY AG (CH) | 1989-03-15 | — | — | EP | disclosed |