⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7922637 | 0.97 | — | — | |
| SCHEMBL6971724 | 0.78 | — | — | |
| SCHEMBL7914049 | 0.77 | PTGS2 (0.32) | — | |
| SCHEMBL6914082 | 0.75 | — | — | |
| SCHEMBL7920854 | 0.72 | PTGS1 (0.30) | — | |
| SCHEMBL8607456 | 0.62 | — | — | |
| SCHEMBL9526672 | 0.60 | MAPK1 (0.42) | — | |
| SCHEMBL8919277 | 0.57 | KMT2A (0.43) | — | |
| SCHEMBL8919733 | 0.57 | KMT2A (0.43) | — | |
| SCHEMBL13683113 | 0.56 | KDM4E (0.41) | — |
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-6232271-B1 | 1-Methyl-5-alkylsulfonyl-, 1-methyl-5-alkylsulfinyl- and 1-methyl-5-alkylthio- substituted pyrazolylpyrazoles, processes for their preparation and their use as herbicides | HOECHST SCHERING AGREVO GMBH (DE) | 2001-05-15 | — | — | US | disclosed |
| EP-1034165-A1 | PYRAZOLYLPYRAZOLES SUBSTITUTED BY 1-METHYL-5- ALKYLSULPHONYL, 1-METHYL-5- ALKYLSUPHINYL AND 1-METHYL-5- ALKYLTHIO, METHODS FOR PREPARING THEM AND USE AS HERBICIDES | Aventis CropScience GmbH (DE) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026931-A1 | PYRAZOLYLPYRAZOLES SUBSTITUTED BY 1-METHYL-5- ALKYLSULPHONYL, 1-METHYL-5- ALKYLSUPHINYL AND 1-METHYL-5- ALKYLTHIO, METHODS FOR PREPARING THEM AND USE AS HERBICIDES | AVENTIS CROPSCIENCE GMBH (DE) | 1999-06-03 | — | — | WO | disclosed |