SCHEMBL6927035

SCHEMBL6927035

FC(F)(F)c1cc(C2=Cc3ccccc3C2[Hf](Cl)(Cl)C2C(c3ccccc3)=Cc3ccccc32)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KIF11 P52732 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN2A Q99250 1/20 0.32
P2RX1 P51575 1/20 0.31
TACR1 P25103 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
BACE1 P56817 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL3946484 0.96 CNR1 (0.33) CNR1CNR2P2RX1
SCHEMBL8585034 0.89 NOTUM (0.32)
SCHEMBL6285712 0.84 CFTR (0.33)
SCHEMBL6285169 0.82 RXRA (0.31) RXRARXRB
SCHEMBL6290535 0.81 CYP1A2 (0.33) ALDH1A1
SCHEMBL6927240 0.79 CNR1 (0.34) CNR1CNR2KIF11TDP1P2RX1
Hydrochloric Acid SCHEMBL7639533 0.78 CNR1 (0.35) CNR1CNR2KIF11TDP1P2RX1
SCHEMBL6927672 0.78
SCHEMBL6927008 0.78
Hydrochloric Acid SCHEMBL7652901 0.77 CNR1 (0.35) CNR1CNR2KIF11TDP1P2RX1

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-6518378-B2 Using an unbridged cyclopentadienyl metallocene catalyst capable of interconverting between states with different copolymerization characteristics THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-02-11 US disclosed
US-6479685-B2 POLYMERIZING ETHYLENE AND ANOTHER ALPHA-OLEFIN IN THE PRESENCE OF AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST COMPONENT AND A CO-CATALYST THE BOARD OF TRUSTEES OF THE LELAND STANDARD JUNIOR UNIVERSITY 2002-11-12 US disclosed
US-20010049425-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-12-06 US disclosed
US-20010034426-A1 High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis BP CORPORATION NORTH AMERICA INC. 2001-10-25 US disclosed