SCHEMBL5872317

SCHEMBL5872317

Fc1c(F)c(F)c2c(c1F)-c1c(F)c(F)c(F)c(F)c1C2c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
CES2 O00748 2/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM1A O60341 2/20 0.33
POLQ O75417 1/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
IDO1 P14902 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
SCHEMBL5872356 0.72 IDO1 (0.34) CES2KDM1AIDO1
SCHEMBL5872319 0.66 CES2 (0.39) CES2POLQ
SCHEMBL3962902 0.64 CES2 (0.52) CES2TSHRMAPK1
SCHEMBL30721709 0.64 CES2 (0.52) CES2TSHRMAPK1
SCHEMBL2699647 0.64 CES2 (0.52) CES2TSHRALOX5APFEN1IDO1
SCHEMBL30417923 0.64 CES2 (0.52) CES2TSHRALOX5APFEN1IDO1
SCHEMBL6061078 0.64 CES2 (0.56) CES2TSHRMAPK1
SCHEMBL11603910 0.63 CES2 (0.43) CES2TSHRMAPK1IDO1
SCHEMBL185847 0.63 CES2 (0.50) CES2TSHRMAPK1
SCHEMBL6039958 0.62 MPL (0.47) ALOX5APFEN1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425318-B1 ACTIVATING ORGANOMETALLIC COMPOSITION FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS COMPRISING FLUORINATED CYCLOPENTADIENYL COMPOUNDS VERSALIS SPA (IT) 2013-01-16 EP disclosed
US-7081505-B2 Activating organometallic composition for the (co) polymerization of alpha-olefins comprising fluorinated cyclopentadienyl compounds POLIMERI EUROPA S.P.A. (IT) 2006-07-25 US disclosed
US-20040198934-A1 Activating organometallic composition for the (co) polymerization of alpha-olefins comprising fluorinated cyclopentadienyl compounds POLIMERI EUROPA S.P.A. (IT) 2004-10-07 US disclosed
US-6596891-B1 Reaction product of fluoroorganic compound and organometallic compound ENICHEM S.P.A. (IT) 2003-07-22 US disclosed
EP-1013675-B1 Activating composition of metallocene complexes in the catalysis of (co)polymerization processes of olefins POLIMERI EUROPA SPA (IT) 2002-07-31 EP disclosed
EP-1013675-A2 Activating composition of metallocene complexes in the catalysis of (co)polymerization processes of olefins Enichem S.p.A. (IT) 2000-06-28 EP disclosed