SCHEMBL5086293

SCHEMBL5086293

CC(C)C1=Cc2c(-c3ccccc3)cccc2C1[Zr](Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CYP2A6 P11509 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
SCHEMBL5354254 0.94 BRD4 (0.30) BRD4
SCHEMBL28442962 0.87 BRD4 (0.32) BRD4CHRNB2CHRNA4
SCHEMBL27509133 0.87 KDM4E (0.30)
SCHEMBL5608762 0.87
SCHEMBL5143998 0.85 BRD4 (0.31) BRD4
SCHEMBL27557395 0.85 GSTP1 (0.36)
SCHEMBL5609226 0.84
SCHEMBL5721133 0.84
SCHEMBL5721632 0.83 CA12 (0.32)
SCHEMBL5721249 0.83 NPC1 (0.31)

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
CN-101356199-A Method for producing ultra-high molecular weight polymers by means of special bridged metallocene catalysts TICONA GMBH (DE) 2009-01-28 CN disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
CN-1616496-A Catalyst component, catalyst and process for ethylenically unsaturated monomer polymerization MITSUI CHEMICALS INC (JP) 2005-05-18 CN disclosed
CN-1224026-A Catalyst component for polymerizing ethylenically unsaturated monomers, catalyst and method of use thereof MITSUI CHEMICALS INC (JP) 1999-07-28 CN disclosed