⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14233604 | 0.83 | — | — | |
| SCHEMBL4535983 | 0.78 | — | — | |
| SCHEMBL28128353 | 0.76 | — | — | |
| SCHEMBL2990037 | 0.73 | — | — | |
| SCHEMBL15381120 | 0.72 | — | — | |
| SCHEMBL1292884 | 0.72 | — | — | |
| SCHEMBL229923 | 0.70 | FDPS (0.35) | — | |
| SCHEMBL4075214 | 0.70 | — | — | |
| SCHEMBL186893 | 0.70 | FDPS (0.35) | — | |
| SCHEMBL18720912 | 0.70 | FDPS (0.31) | — |
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-3233871-B1 | QUATERNARY PHOSPHINATES WITH CO-SOLVENTS FOR EXTRACTING C1 TO C4 CARBOXYLIC ACIDS FROM AQUEOUS STREAMS | EASTMAN CHEM CO (US) | 2020-04-01 | — | — | EP | disclosed |