⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26619660 | 0.86 | PTPRZ1 (0.33) | — | |
| SCHEMBL28221534 | 0.74 | — | — | |
| SCHEMBL3479157 | 0.74 | — | — | |
| SCHEMBL22494208 | 0.73 | — | — | |
| SCHEMBL50394 | 0.70 | — | — | |
| SCHEMBL3474994 | 0.70 | — | — | |
| SCHEMBL8982451 | 0.68 | AKR1B1 (0.50) | — | |
| SCHEMBL11368885 | 0.65 | L3MBTL1 (0.31) | — | |
| SCHEMBL11375532 | 0.63 | LOXL2 (0.37) | — | |
| SCHEMBL9435542 | 0.63 | HTR6 (0.48) | — |
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-6461997-B1 | SUCH AS 3-(BROMODIFLUOROMETHYLSULFONYL)-1-(N,N-DIETHYL-CARBAMOYL)-1,2,4-TRIAZOLE; SELECTIVITY FOR WEEDS OVER CROPS; APPLY TO PLANTS OR SOIL | MONSANTO TECHNOLOGY LLC | 2002-10-08 | — | — | US | disclosed |
| EP-1140865-A1 | TRIAZOLE SULFONES HAVING HERBIDICIDAL ACTIVITY | Monsanto Co. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042028-A1 | TRIAZOLE SULFONES HAVING HERBICIDAL ACTIVITY | MONSANTO TECHNOLOGY LLC (US) | 2000-07-20 | — | — | WO | disclosed |