⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1223797 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL1222406 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL1027876 | 0.77 | — | — | |
| SCHEMBL1223295 | 0.76 | GAA (0.33) | — | |
| SCHEMBL28458818 | 0.76 | — | — | |
| SCHEMBL1030272 | 0.75 | — | — | |
| SCHEMBL1028093 | 0.72 | GAA (0.32) | — | |
| SCHEMBL28453431 | 0.72 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL28449099 | 0.72 | — | — | |
| SCHEMBL1028374 | 0.71 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2274305-B1 | 2-[(1H-PYRAZOL-4-YLMETHYL)-SULFONYL]-OXAZOLE DERIVATIVES, 2-[(1H-PYRAZOL-4-YLMETHYL)-SULFANYL]-OXAZOLE DERIVATIVES AND CHIRAL 2-[(1H-PYRAZOL-4-YLMETHYL)-SULFINYL]-OXAZOLE DERIVATIVES, METHOD FOR PRODUCTION OF SAME AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |
| US-8216973-B2 | 2-[(1H-pyrazole-4-ylmethyl)-sulfonyl]-oxazole-derivative, 2-[(1H-pyrazole-4-ylmethyl)-sulfanyl]-oxazole-derivatives, and chiral 2-[(1H-pyrazole-4-ymethyl)sulfinyl]oxazole derivatives, methods for the production thereof, and use thereof as herbicides and plant growth regulators | BAYER CROPSCIENCE AG (DE) | 2012-07-10 | — | — | US | disclosed |
| US-20110039696-A1 | 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFONYL] -OXAZOL-DERIVATIVE, 2-[(1H-PYRAZOL-4-YLMETHYL) -SULFANYL] -OXAZOL-DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOL-4-YMETHYL)SULFINYL]OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2011-02-17 | — | — | US | disclosed |