⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8048258 | 0.80 | — | — | |
| SCHEMBL8031405 | 0.79 | NR1I2 (0.33) | — | |
| SCHEMBL8048865 | 0.75 | GSK3B (0.31) | — | |
| SCHEMBL8608435 | 0.74 | GAA (0.31) | — | |
| SCHEMBL8606109 | 0.73 | — | — | |
| SCHEMBL8609169 | 0.73 | MGLL (0.30) | — | |
| SCHEMBL8606261 | 0.72 | USP2 (0.32) | — | |
| SCHEMBL8891322 | 0.72 | — | — | |
| SCHEMBL8608883 | 0.72 | — | — | |
| SCHEMBL8609762 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6140528-A | ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES | RHONE-POULENC AGRICULTURE LTD (GB) | 2000-10-31 | — | — | US | disclosed |
| US-6013805-A | USED AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD (GB) | 2000-01-11 | — | — | US | disclosed |
| US-5849928-A | Herbicidal isoxazole and 2-cyano-1,3-dione compounds | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1998-12-15 | — | — | US | disclosed |