⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28003410 | 0.83 | SLC6A9 (0.35) | — | |
| SCHEMBL8030838 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL8041953 | 0.80 | RAB9A (0.33) | — | |
| SCHEMBL8489453 | 0.75 | HPGD (0.47) | — | |
| SCHEMBL9193411 | 0.75 | HPGD (0.34) | — | |
| SCHEMBL8388430 | 0.74 | MAPT (0.33) | — | |
| SCHEMBL8727304 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL6440505 | 0.73 | — | — | |
| SCHEMBL6440508 | 0.73 | — | — | |
| SCHEMBL8491834 | 0.72 | KMT2A (0.39) | — |
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 |