SCHEMBL690609

SCHEMBL690609

CCCCCCC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1[Zr](C1C(CCCCCC)=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c21)[SiH](C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
SOAT1 P35610 3/20 0.31
DHFR P00374 1/20 0.31
PTPN1 P18031 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
GCGR P47871 1/20 0.30
HSD11B1 P28845 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
SCHEMBL691108 0.99 GPR84 (0.32) GPR84GCGRHSD11B1
SCHEMBL689039 0.95 PSMB5 (0.31)
SCHEMBL690449 0.90
SCHEMBL691047 0.89 GCGR (0.31) GCGR
SCHEMBL690188 0.88 GCGR (0.32) GCGR
SCHEMBL690451 0.86 CNR1 (0.32) CNR1
SCHEMBL691128 0.86 CNR2 (0.36) CNR1
SCHEMBL691168 0.85 CNR1 (0.30) CNR1
SCHEMBL691283 0.85
SCHEMBL691074 0.85 CNR1 (0.34) 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