SCHEMBL696470

SCHEMBL696470

CCCCCCC1=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2C1[Zr](C)(C)(=[SiH2])C1C(CCCCCC)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
TLR8 Q9NR97 1/20 0.33
CNR2 P34972 2/20 0.32
GPR3 P46089 1/20 0.32
ALOX15 P16050 3/20 0.32
MAPT P10636 2/20 0.32
PTPN1 P18031 1/20 0.31
KCNH2 Q12809 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
SCHEMBL695767 1.00 CNR1 (0.42) CNR1TLR8CNR2GPR3ALOX15
Hydrochloric Acid SCHEMBL688920 0.99 CNR1 (0.41) CNR1TLR8CNR2GPR3ALOX15
Hydrochloric Acid SCHEMBL690808 0.99 CNR1 (0.41) CNR1TLR8CNR2GPR3ALOX15
SCHEMBL694722 0.99 CNR1 (0.41) CNR1TLR8CNR2GPR3ALOX15
Hydrochloric Acid SCHEMBL691019 0.98 CNR1 (0.40) CNR1TLR8CNR2GPR3ALOX15
SCHEMBL694592 0.96 CNR1 (0.37) CNR1TLR8CNR2ALOX15
Hydrochloric Acid SCHEMBL691218 0.94 CNR1 (0.36) CNR1TLR8CNR2ALOX15
SCHEMBL696087 0.91 CNR1 (0.33) CNR1CNR2ALOX15
Hydrochloric Acid SCHEMBL689433 0.90 CNR1 (0.33) CNR1TLR8
SCHEMBL694455 0.86 HTR7 (0.31) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203486-B9 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-08-01 EP claimed
EP-2203486-B1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-02-29 EP claimed