SCHEMBL6792536

SCHEMBL6792536

CCN(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NR1H2 P55055 9/20 0.41
NR1H3 Q13133 9/20 0.41
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
RORC P51449 2/20 0.36
MLYCD O95822 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL6791746 0.86 TSHR (0.40) TSHRNR1H2NR1H3ALDH1A1GLA
SCHEMBL5716560 0.83 NR1H3 (0.33) TSHRNR1H2NR1H3ALDH1A1
SCHEMBL1258398 0.83 TSHR (0.42) TSHRNR1H2NR1H3ALDH1A1GLA
SCHEMBL6793642 0.81 NR1H2 (0.43) NR1H2NR1H3OPRM1MLYCDTP53
SCHEMBL5715726 0.78 NPC1 (0.44) NR1H2NR1H3OPRM1DRD3KCNH2
SCHEMBL5715943 0.78 NPC1 (0.44) NR1H2NR1H3OPRM1DRD3KCNH2
SCHEMBL2672712 0.76 TSHR (0.43) TSHRNR1H2NR1H3ALDH1A1GLA
SCHEMBL5715796 0.73 MEN1 (0.41) TSHRNR1H2NR1H3ALDH1A1
SCHEMBL16180258 0.72 ALDH1A1 (0.46) TSHRNR1H2NR1H3ALDH1A1GLA
SCHEMBL6789899 0.72 TP53 (0.34) TSHRNR1H2NR1H3ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed