⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2123678 | 0.77 | — | — | |
| SCHEMBL1016133 | 0.72 | — | — | |
| SCHEMBL21731131 | 0.72 | — | — | |
| SCHEMBL1016130 | 0.72 | — | — | |
| SCHEMBL16116195 | 0.69 | — | — | |
| SCHEMBL1066612 | 0.69 | — | — | |
| SCHEMBL1066613 | 0.69 | — | — | |
| SCHEMBL1843256 | 0.67 | — | — | |
| SCHEMBL1016457 | 0.67 | — | — | |
| SCHEMBL16116194 | 0.67 | — | — |
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-0984927-A1 | DERIVATIVES OF 4,4-DIFLUOROBUT-3-ENYLSULFINIC ACID AND THEIR USE AS PESTICIDES | ZENECA LIMITED (GB) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998040352-A1 | DERIVATIVES OF 4,4-DIFLUOROBUT-3-ENYLSULFINIC ACID AND THEIR USE AS PESTICIDES | ZENECA LIMITED (GB) | 1998-09-17 | — | — | WO | disclosed |