⚠ 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 | |
|---|---|---|---|---|
| Methylvinyl Ketone Cyanohydrin SCHEMBL5027131 | 1.00 | — | — | |
| SCHEMBL487229 | 0.73 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL27317753 | 0.68 | TDP1 (0.38) | — | |
| SCHEMBL129187 | 0.68 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL34145 | 0.68 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL29665840 | 0.68 | — | — | |
| SCHEMBL1548339 | 0.68 | — | — | |
| SCHEMBL6138482 | 0.68 | — | — | |
| SCHEMBL7940219 | 0.67 | — | — | |
| SCHEMBL14783270 | 0.67 | ALOX15 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4218393-A | CYANATION AND HYDROGENATION OF METHYL VINYL KETONE WITH HYDROGEN CYANIDE AND A BASIC CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | claimed |
| EP-3027030-A1 | BIOPESTICIDE COMPOSITIONS COMPRISING WATER SOLUBLE POLYOLS | MPT Mustard Products & Technologies Inc. (CA) | 2016-06-08 | — | — | EP | disclosed |
| EP-3013147-A1 | COMPOSITIONS COMPRISING PESTICIDE PRECURSORS AND METHODS OF MAKING AND USE | MPT Mustard Products & Technologies Inc. (CA) | 2016-05-04 | — | — | EP | disclosed |
| WO-2015013808-A1 | BIOPESTICIDE COMPOSITIONS COMPRISING WATER SOLUBLE POLYOLS | MPT MUSTARD PRODUCTS & TECHNOLOGIES INC. (CA) | 2015-02-05 | — | — | WO | disclosed |
| WO-2014205550-A1 | COMPOSITIONS COMPRISING PESTICIDE PRECURSORS AND METHODS OF MAKING AND USE | MPT MUSTARD PRODUCTS & TECHNOLOGIES INC. (CA) | 2014-12-31 | — | — | WO | disclosed |
| EP-2552219-A1 | COMPOSITIONS COMPRISING PLANT MATERIAL AND SUGAR FOR THE CONTROL OF PESTS AND METHODS OF MAKING | MPT Mustard Products & Technologies Inc. (CA) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011116468-A1 | COMPOSITIONS COMPRISING PLANT MATERIAL AND SUGAR FOR THE CONTROL OF PESTS AND METHODS OF MAKING | MPT MUSTARD PRODUCTS & TECHNOLOGIES INC. (CA) | 2011-09-29 | — | — | WO | disclosed |
| US-4596889-A | Preparation of alkenyl-lactic acid esters and the novel esters obtained | BASF AKTIENGESELLSCHAFT (DE) | 1986-06-24 | — | — | US | disclosed |
| US-4268446-A | REACTING A HYDROQUINONE, LEWIS ACID OR BASE DERIVATIVE AND A NITRILE IN THE PRESENCE OF AN INERT SOLVENT | BASF AKTIENGESELLSCHAFT (DE) | 1981-05-19 | — | — | US | disclosed |
| US-4218393-A | CYANATION AND HYDROGENATION OF METHYL VINYL KETONE WITH HYDROGEN CYANIDE AND A BASIC CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |
| US-4218393-A | CYANATION AND HYDROGENATION OF METHYL VINYL KETONE WITH HYDROGEN CYANIDE AND A BASIC CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |
| US-4218393-A | CYANATION AND HYDROGENATION OF METHYL VINYL KETONE WITH HYDROGEN CYANIDE AND A BASIC CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-19 | — | — | US | disclosed |
| US-3943161-A | Process for producing conjugated dienes containing a cyano group | TOYO SODA MANUFACTURING CO., LTD. (JA) | 1976-03-09 | — | — | US | disclosed |