⚠ 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 | |
|---|---|---|---|---|
| Diallyl Sulfide SCHEMBL4346718 | 0.78 | — | — | |
| Diallyl Sulfide SCHEMBL45800 | 0.78 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.78 | ALOX5 (1.00) | — | |
| SCHEMBL676012 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL4560172 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL11665328 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL7573176 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL5912153 | 0.74 | — | — | |
| Diallyl Sulfide SCHEMBL21385126 | 0.74 | ALOX5 (0.92) | — | |
| Diallyl Sulfide SCHEMBL7130288 | 0.74 | — | — |
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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101671369-B | Phosphoryl methyl salinomycin ether derivative and preparation method thereof | QI YOUMAO | 2013-01-30 | — | — | CN | claimed |
| CN-101671369-A | Phosphoryl methyl salinomycin ether derivative and preparation method thereof | YOUMAO QI | 2010-03-17 | — | — | CN | claimed |
| CN-105121410-B | Herbicidally active 2- (substituted-phenyl) -cyclopentane-1, 3-dione compounds and derivatives thereof | SYNGENTA LTD. (GB) | 2019-11-01 | — | — | CN | disclosed |
| CN-105339347-B | The ring dione compounds and its derivative of (alkynyl phenyl) substitution of activity of weeding | 先正达有限公司 | 2018-01-19 | — | — | CN | disclosed |
| EP-3209133-A1 | HERBICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2017-08-30 | — | — | EP | disclosed |
| CN-107074755-A | Herbicides compounds | 先正达参股股份有限公司 | 2017-08-18 | — | — | CN | disclosed |
| EP-3160950-A1 | HERBICIDAL PROPYNYL-PHENYL COMPOUNDS | Syngenta Participations AG (CH) | 2017-05-03 | — | — | EP | disclosed |
| CN-106458958-A | Herbicidal propynyl-phenyl compounds | 先正达参股股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-3046907-A1 | HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES | Syngenta Limited (GB) | 2016-07-27 | — | — | EP | disclosed |
| CN-102471311-B | The ring diketone or derivatives thereof of the heteroaryl replacement of weeding activity | SYNGENTA LTD. (GB) | 2016-04-27 | — | — | CN | disclosed |
| EP-3004052-A1 | HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF | Syngenta Limited (GB) | 2016-04-13 | — | — | EP | disclosed |
| WO-2009015877-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-05 | — | — | WO | disclosed |
| WO-2009000533-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008145336-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA LIMITED (GB) | 2008-12-04 | — | — | WO | disclosed |
| WO-2008110307-A1 | 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008110308-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008071405-A1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-06-19 | — | — | WO | disclosed |
| US-4859229-A | HERBICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-08-22 | — | — | US | disclosed |
| US-4488995-A | Androstene-17β-alkylthiomethyl ethers | E. R. SQUIBB & SONS, INC. (US) | 1984-12-18 | — | — | US | disclosed |
| US-3978123-A | HERBICIDAL N-ALKYLSULFOXYMETHYL-AND-N-ALKYLSULFONYL-METHYL-N-ARYL | CHEVRON RESEARCH COMPANY (US) | 1976-08-31 | — | — | US | disclosed |