SCHEMBL694454

SCHEMBL694454

CCC1=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2C1[Zr](C1C(CC)=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c21)[SiH](C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 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
SCHEMBL696086 0.91 CNR1 (0.33) ALOX15HTR7
SCHEMBL694260 0.89 CNR1 (0.36) ALOX15HTR7
SCHEMBL694721 0.88 CNR1 (0.40) ALOX15
SCHEMBL695972 0.87 NPC1 (0.30)
SCHEMBL694586 0.87 C5AR1 (0.30)
SCHEMBL695766 0.87 CNR1 (0.41) ALOX15
SCHEMBL696469 0.87 CNR1 (0.41) ALOX15
SCHEMBL16175630 0.86 KDM4E (0.32) ALOX15HTR7
SCHEMBL695424 0.86 HTR7 (0.31) HTR7
SCHEMBL693430 0.86 GPR52 (0.32)

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