⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6685002 | 0.83 | — | — | |
| Acetic Acid SCHEMBL28584351 | 0.80 | — | — | |
| Acetic Acid SCHEMBL11218327 | 0.80 | — | — | |
| Glyoxylate SCHEMBL9331445 | 0.79 | — | — | |
| Carbamic Acid SCHEMBL2286984 | 0.78 | — | — | |
| Acetone SCHEMBL11226617 | 0.76 | — | — | |
| Formic Acid SCHEMBL28922274 | 0.76 | — | — | |
| Glyoxylate SCHEMBL28411472 | 0.75 | — | — | |
| Glyoxylate SCHEMBL11690306 | 0.75 | TSHR (0.50) | — | |
| Glyoxylate SCHEMBL1518069 | 0.75 | TSHR (0.50) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2186410-B1 | Isoxazoline derivative and herbicide comprising the same as active ingredient | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2014-05-07 | — | — | EP | disclosed |
| EP-1364946-B1 | ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2010-11-24 | — | — | EP | disclosed |
| US-7833939-B2 | Herbicide compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-2186410-A1 | Isoxazoline derivative and herbicide comprising the same as active ingredient | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-05-19 | — | — | EP | disclosed |
| US-7238689-B2 | Isoxazoline derivative and herbicide comprising the same as active ingredient | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-07-03 | — | — | US | disclosed |
| EP-1203768-B1 | ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2006-03-01 | — | — | EP | disclosed |
| US-20050256004-A1 | Herbicide compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2005-11-17 | — | — | US | disclosed |
| US-6841519-B1 | Isoxazoline derivatives and herbicides containing the same as the active ingredient | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2005-01-11 | — | — | US | disclosed |
| US-20040110749-A1 | Isoxazoline derivative and herbicide comprising the same as active ingredient | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2004-06-10 | — | — | US | disclosed |
| EP-1364946-A1 | ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-11-26 | — | — | EP | disclosed |
| EP-1203768-A1 | ISOXAZOLINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-05-08 | — | — | EP | disclosed |
| US-5360906-A | N-(3-halo-5-isoxazolylmethyl)-2-nitromethylene- and -2-nitroimino-imidazolines and pyrimidines; aminoalkylation, cyclization | SHELL RESEARCH LIMITED (GB) | 1994-11-01 | — | — | US | disclosed |
| EP-0555931-A1 | Isoxazole derivatives and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-08-18 | — | — | EP | disclosed |