SCHEMBL8533004

SCHEMBL8533004

O=C1c2ccccc2C(=O)N1CCC=C(F)F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
CHRM2 P08172 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL4581325 0.82 ALDH1A1 (0.51) GLSCHRM2MEN1CYP1A2CYP2C19
SCHEMBL31016830 0.81 CASP3 (0.51) GLSCA12CA9
SCHEMBL22121427 0.79 GLS (0.59) GLSCYP1A2CYP2C19
SCHEMBL30185439 0.77 GLS (0.57) GLSCYP1A2CYP2C19
SCHEMBL1042197 0.77 GLS (0.57) GLSCYP1A2CYP2C19
SCHEMBL2866493 0.77 CA12 (0.49) GLSMEN1KMT2ACA12CA9
SCHEMBL7378590 0.77 CA12 (0.49) GLSMEN1KMT2ACA12CA9
SCHEMBL6699936 0.76 GLS (0.71) GLSCA12CA9
SCHEMBL29419302 0.76 CASP3 (0.58) GLS
SCHEMBL369820 0.76 CASP3 (0.58) GLS

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1269136-A Fluoric alkenyl compound and use as insect repellent agent MONSANTO CO (US) 2000-10-11 CN disclosed
EP-0640069-B1 FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS MONSANTO CO (US) 1998-11-04 EP disclosed
US-5714517-A NEMATOCIDES, INSECTICIDES MONSANTO COMPANY (US) 1998-02-03 US disclosed
US-5693865-A Fluoroalkenyl compounds and their use as pest repellents MONSANTO COMPANY (US) 1997-12-02 US disclosed
EP-0798285-A2 3,4,4-Trifluoro-3-butenoic acid or its methyl ester MONSANTO COMPANY (US) 1997-10-01 EP disclosed
US-5623084-A INSECTICIDES, MITICIDES MONSANTO COMPANY (US) 1997-04-22 US disclosed
US-5561162-A SYSTEMIC PESTICIDES; NEMATOCIDES; INSECTICIDES; MITICIDES; EFFICIENCY; CROPS MONSANTO COMPANY (US) 1996-10-01 US disclosed
US-5457134-A Controlling nematodes, insects, acarids on plants MONSANTO COMPANY (US) 1995-10-10 US disclosed
EP-0640069-A1 FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS MONSANTO COMPANY (US) 1995-03-01 EP disclosed
US-5389680-A Insecticides, nematocides, miticides MONSANTO COMPANY (US) 1995-02-14 US disclosed
WO-1992015555-A2 FLUOROALKENYL COMPOUNDS AND THEIR USE AS PEST REPELLENTS MONSANTO COMPANY (US) 1992-09-17 WO disclosed