SCHEMBL4069617

SCHEMBL4069617

N#CC(C=O)C=O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9282766 0.81
SCHEMBL3656494 0.69
SCHEMBL1357770 0.65
SCHEMBL1754723 0.65
SCHEMBL2558387 0.65
SCHEMBL10718600 0.65
SCHEMBL2690169 0.65
SCHEMBL17400860 0.65
SCHEMBL21775394 0.65
SCHEMBL9348130 0.64

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57192380-A None JP disclosed
JP-60019755-A None JP disclosed
CN-106220554-B A kind of preparation method of aryl-pyridine and its derivative 中国科学院长春应用化学研究所 2019-06-21 CN disclosed
WO-2016050567-A1 INSECTICIDAL CYANOTROPANE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-04-07 WO disclosed
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
US-20160046620-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-18 US disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
EP-2978318-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154487-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
WO-2014154488-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
US-4960890-A FOR OPTICAL RECORDING MEDIA BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4888357-A ANTIINFLAMMATORY AGENTS BRISTOL-MYERS COMPANY (US) 1989-12-19 US disclosed
US-4876347-A OPTICAL RECORDING MEDIA BASF AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0326107-A1 Antiarthritic beta-cycloalkyl-beta-oxopropionitriles Bristol-Myers Squibb Company (US) 1989-08-02 EP disclosed
US-4751309-A OPTICAL RECORDING MEDIA BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 US disclosed
EP-0103126-B1 PROCESS FOR PREPARING 4-AMINO-5-DIALKOXYMETHYLPYRIMIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1987-03-04 EP disclosed
JP-S6019755-A PRODUCTION OF 2-ALKALIFORMYL-3,3-DIALKOXYPROPANE NITIRLE UBE IND LTD 1985-01-31 JP disclosed
US-4492792-A Process for preparing 4-amino-5-dialkoxy-methylpyrimidine derivatives UBE INDUSTRIES, LTD. (JP) 1985-01-08 US disclosed
US-4421925-A VITAMIN B1 UBE INDUSTRIES, LTD. (JP) 1983-12-20 US disclosed
JP-S57192380-A PREPARATION OF 4-ALKOXY-1,3-DIOXANE-5-CARBONITRILES UBE IND LTD 1982-11-26 JP disclosed