⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8606823 | 0.76 | AR (0.37) | — | |
| SCHEMBL8607183 | 0.75 | — | — | |
| SCHEMBL8609420 | 0.75 | USP2 (0.31) | — | |
| SCHEMBL8609547 | 0.74 | HPGD (0.30) | — | |
| SCHEMBL8607103 | 0.74 | CTSK (0.35) | — | |
| SCHEMBL8048258 | 0.74 | — | — | |
| SCHEMBL8725815 | 0.74 | HPGD (0.30) | — | |
| SCHEMBL8606548 | 0.73 | DRD2 (0.32) | — | |
| SCHEMBL3954105 | 0.73 | DHODH (0.37) | — | |
| SCHEMBL8604618 | 0.73 | EGFR (0.32) | — |
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-0625508-B1 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | RHONE POULENC AGRICULTURE (GB) | 1998-08-19 | — | — | EP | claimed |
| EP-0625508-A2 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1994-11-23 | — | — | EP | claimed |
| EP-0625508-B1 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | RHONE POULENC AGRICULTURE (GB) | 1998-08-19 | — | — | EP | disclosed |
| EP-0625508-A2 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1994-11-23 | — | — | EP | disclosed |