SCHEMBL690115

SCHEMBL690115

CCCCCCCC1=Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c2C1[Zr](C)(C)(=[SiH2])C1C(CCCCCCC)=Cc2c(-c3c4ccccc4cc4ccccc34)ccc(-c3c4ccccc4cc4ccccc34)c21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CNR1 P21554 2/20 0.34
GPR3 P46089 1/20 0.32

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
SCHEMBL690017 1.00 MAPT (0.36) MAPTCNR1GPR3
Hydrochloric Acid SCHEMBL691242 0.99 MAPT (0.35) MAPTCNR1GPR3
Hydrochloric Acid SCHEMBL689228 0.99 MAPT (0.35) MAPTCNR1GPR3
SCHEMBL689252 0.99 MAPT (0.34) MAPTCNR1GPR3
Hydrochloric Acid SCHEMBL690878 0.98 MAPT (0.33) MAPTCNR1
SCHEMBL691294 0.96 MAPT (0.30) MAPT
Hydrochloric Acid SCHEMBL691068 0.95
SCHEMBL690556 0.91 GPR84 (0.32)
Hydrochloric Acid SCHEMBL689148 0.90 GPR84 (0.32)
SCHEMBL690790 0.87

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