⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19075100 | 0.90 | — | — | |
| SCHEMBL1779277 | 0.89 | CRHR1 (0.30) | — | |
| SCHEMBL12601671 | 0.89 | CNR1 (0.31) | — | |
| SCHEMBL12601670 | 0.84 | PDE4B (0.31) | — | |
| SCHEMBL12601673 | 0.84 | HCRTR1 (0.33) | — | |
| SCHEMBL12601682 | 0.84 | — | — | |
| SCHEMBL8341103 | 0.84 | MGLL (0.32) | — | |
| SCHEMBL12601687 | 0.81 | MPO (0.31) | — | |
| SCHEMBL1779844 | 0.81 | CRHR1 (0.33) | — | |
| SCHEMBL12601688 | 0.81 | MPO (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167473-B1 | 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BAYER IP GMBH (DE) | 2017-07-05 | — | — | EP | disclosed |
| US-7943551-B2 | 3-cyclopropyl-4-(3-thiobenzoyl) pyrazoles and their use as herbicides | BAYER CROPSCIENCE AG (DE) | 2011-05-17 | — | — | US | disclosed |
| US-7943551-B2 | 3-cyclopropyl-4-(3-thiobenzoyl) pyrazoles and their use as herbicides | BAYER CROPSCIENCE AG (DE) | 2011-05-17 | — | — | US | disclosed |
| WO-2008151719-A2 | 3-CYCLOPROPYL-4-(3-THIOBENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BAYER CROPSCIENCE AG (DE) | 2008-12-18 | — | — | WO | disclosed |
| US-20080305956-A1 | 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides | BAYER CROPSCIENCE AG (US) | 2008-12-11 | — | — | US | disclosed |
| US-20080305956-A1 | 3-Cyclopropyl-4-(3-Thiobenzoyl) Pyrazoles And Their Use as Herbicides | BAYER CROPSCIENCE AG (US) | 2008-12-11 | — | — | US | disclosed |