⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3231282 | 1.00 | — | — | |
| SCHEMBL2724520 | 1.00 | — | — | |
| SCHEMBL23212107 | 0.89 | GAA (0.30) | — | |
| SCHEMBL28573331 | 0.82 | GAA (0.31) | — | |
| SCHEMBL4398076 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4866679 | 0.82 | — | — | |
| SCHEMBL17149566 | 0.81 | — | — | |
| SCHEMBL4214257 | 0.80 | — | — | |
| SCHEMBL17149567 | 0.79 | — | — | |
| SCHEMBL1934015 | 0.77 | — | — |
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-2227457-B1 | CHIRAL 3-(BENZYLSULFINYL)-5,5-DIMETHYL-4,5-DIHYDROISOXAZOLE AND 5,5-DIMETHYL-3-[(1H-PYRAZOL-4-YLMETHYL) SULFINYL]-4,5-DIHYDROISOXAZOLE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER IP GMBH (DE) | 2016-05-04 | — | — | EP | disclosed |
| US-8420570-B2 | Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations | BAYER CROPSCIENCE AG (DE) | 2013-04-16 | — | — | US | disclosed |
| US-20100255988-A1 | Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole derivatives and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl)sulfinyl]-4,5-dihydroisoxazole derivatives, method for the production thereof, and use of same as herbicides and plant growth regulations | BAYER CROPSCIENCE AG (DE) | 2010-10-07 | — | — | US | disclosed |
| EP-2227457-A2 | CHIRAL 3-(BENZYLSULFINYL)-5,5-DIMETHYL-4,5-DIHYDROISOXAZOLE DERIVATIVES AND 5,5-DIMETHYL-3-Ý(1H-PYRAZOL-4-YLMETHYL)SULFINYL¨-4,5-DIHYDROISOXAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer CropScience AG (DE) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009068171-A2 | CHIRAL 3-(BENZYLSULFINYL)-5,5-DIMETHYL-4,5-DIHYDROISOXAZOLE DERIVATIVES AND 5,5-DIMETHYL-3-[(1H-PYRAZOL-4-YLMETHYL)SULFINYL]-4,5-DIHYDROISOXAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2009-06-04 | — | — | WO | disclosed |
| EP-2065373-A1 | Chiral 3-(benzylsulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole and 5,5-dimethyl-3-[(1H-pyrazol-4-ylmethyl) sulfinyl]-4,5-dihydroisoxazole derivatives, methods for their preparation and their use as herbicides and plant growth regulators | Bayer CropScience AG (DE) | 2009-06-03 | — | — | EP | disclosed |