⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11530955 | 0.75 | — | — | |
| SCHEMBL29163848 | 0.71 | — | — | |
| SCHEMBL11339115 | 0.68 | — | — | |
| SCHEMBL1411175 | 0.68 | CES1 (0.36) | — | |
| SCHEMBL6802879 | 0.66 | LMNA (0.31) | — | |
| SCHEMBL8600570 | 0.66 | HSP90AA1 (0.32) | — | |
| SCHEMBL1411641 | 0.65 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL1411823 | 0.64 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL1028639 | 0.64 | — | — | |
| SCHEMBL15847093 | 0.63 | — | — |
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-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-20110190125-A1 | 2-(BENZYLSULFONYL)OXAZOLE DERIVATIVES, CHIRAL 2-(BENZYLSULFINYL)OXAZOLE DERIVATIVES... | BAYER CROPSCIENCE AG (DE) | 2011-08-04 | — | — | 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 |