SCHEMBL8528872

SCHEMBL8528872

O=[N+]([O-])OCCC(F)=C(F)F

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ESR2 Q92731 1/20 0.31

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
SCHEMBL8528875 0.81
SCHEMBL457977 0.71
SCHEMBL27281565 0.71 ALDH1A1 (0.53) ALDH1A1
SCHEMBL417312 0.71 ALDH1A1 (0.53) ALDH1A1
SCHEMBL13669671 0.70
Methane SCHEMBL2013838 0.70 LMNA (0.46) ALDH1A1ESR2
SCHEMBL2011795 0.70
SCHEMBL2739375 0.70
SCHEMBL28004818 0.68 ALDH1A1 (0.50) ALDH1A1
Ammonia Solution, Strong SCHEMBL721752 0.68 ALDH1A1 (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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