SCHEMBL690105

SCHEMBL690105

CCCC1=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c2C1[Zr](C)(C)(=[SiH2])C1C(CCC)=Cc2c(-c3cc(C)cc(C)c3)ccc(-c3cc(C)cc(C)c3)c21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.30
CNR2 P34972 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
Hydrochloric Acid SCHEMBL689122 0.99
SCHEMBL691219 0.93 CNR1 (0.33) CNR1CNR2
Hydrochloric Acid SCHEMBL689897 0.91 CNR1 (0.33) CNR1CNR2
SCHEMBL691075 0.91 CNR2 (0.35) CNR1CNR2
SCHEMBL691129 0.90 CNR2 (0.37) CNR1CNR2
Hydrochloric Acid SCHEMBL691432 0.90 CNR1 (0.34) CNR1CNR2
SCHEMBL690377 0.90
Hydrochloric Acid SCHEMBL689948 0.89 CNR2 (0.36) CNR1CNR2
Hydrochloric Acid SCHEMBL689333 0.89 CNR2 (0.36) CNR1CNR2
Hydrochloric Acid SCHEMBL689981 0.88

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