SCHEMBL6737749

SCHEMBL6737749

COc1c(F)c(F)c(Br)c(F)c1F.[MgH2]

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA1 P00915 1/20 0.37
CA6 P23280 1/20 0.37
PTPN1 P18031 1/20 0.36
HSD17B10 Q99714 1/20 0.34
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL2922201 0.97 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL25205732 0.89 CA2 (0.37) CA2CA4CA1CA6PTPN1
SCHEMBL21461783 0.83 CA2 (0.37) CA2CA4CA1CA6PTPN1
SCHEMBL9844526 0.82 CA2 (0.33) CA2CA4CA1CA6PTPN1
SCHEMBL3763099 0.82 HSD17B10 (0.41) CA2CA1HSD17B10
SCHEMBL182607 0.78 HSD17B10 (0.40) CA2CA1HSD17B10
SCHEMBL28781812 0.77 CA2 (0.33) CA2CA4CA1CA6PTPN1
SCHEMBL21461786 0.75 CA2 (0.32) CA2CA4CA1CA6PTPN1
SCHEMBL31299646 0.75 MAPT (0.33) CA2CA4CA1CA6PTPN1
SCHEMBL23414125 0.75 CA2 (0.32) CA2CA4CA1CA6PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683218-B1 REACTING AN ARYL FLUORIDE WITH HALOGENATED HYDROCARBON AND MAGNESIUM; METALLIZATION, BORATING; DISTILLING OUT DIETHYL ETHER OR TETRAHYDROFURAN SOLVENT NIPPON SHOKUBAI CO., LTD. (JP) 2004-01-27 US disclosed
EP-0825195-B1 PRODUCING PROCESS OF FLUOROARYL MAGNESIUM DERIVATIVE AND PRODUCING PROCESS OF (FLUOROARYL)BORANE COMPOUND NIPPON CATALYTIC CHEM IND (JP) 2003-11-12 EP disclosed
US-6057480-A Process for preparing fluoroaryl magnesium derivative and process for preparing (fluoroaryl) borane compound NIPPON SHOKUBAI CO., LTD. (JP) 2000-05-02 US disclosed
EP-0838466-A2 Producing process of (fluoroaryl) borane compound and producing process of tetrakis (fluoroaryl) borate derivative NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-29 EP disclosed
EP-0825195-A1 PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 1998-02-25 EP disclosed