SCHEMBL694260

SCHEMBL694260

CCCCC1=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2C1[Zr](C1C(CCCC)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21)[SiH](C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
ALOX15 P16050 2/20 0.33
CNR2 P34972 1/20 0.33
TLR8 Q9NR97 1/20 0.31
HTR7 P34969 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
SCHEMBL694721 0.97 CNR1 (0.40) CNR1ALOX15CNR2TLR8
SCHEMBL696469 0.96 CNR1 (0.41) CNR1ALOX15CNR2TLR8
SCHEMBL695766 0.96 CNR1 (0.41) CNR1ALOX15CNR2TLR8
SCHEMBL696086 0.93 CNR1 (0.33) CNR1ALOX15HTR7
SCHEMBL694454 0.89 ALOX15 (0.31) ALOX15HTR7
SCHEMBL5890351 0.87 CNR1 (0.34) CNR1ALOX15CNR2TLR8HTR7
SCHEMBL693430 0.87 GPR52 (0.32)
SCHEMBL689858 0.83
SCHEMBL694586 0.83 C5AR1 (0.30)
SCHEMBL695972 0.83 NPC1 (0.30)

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