SCHEMBL691109

SCHEMBL691109

CCCCCC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1[Zr](C)(C)(=[SiH2])C1C(CCCCC)=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.32
GCGR P47871 2/20 0.32
HSD11B1 P28845 1/20 0.32
GPR3 P46089 1/20 0.31
CNR1 P21554 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 SCHEMBL688896 0.99 GPR84 (0.32) GPR84GCGRHSD11B1GPR3
SCHEMBL690610 0.99 GPR3 (0.33) GPR84GCGRHSD11B1GPR3CNR1
Hydrochloric Acid SCHEMBL689971 0.98 SOAT1 (0.33) GPR84GCGRHSD11B1GPR3CNR1
Hydrochloric Acid SCHEMBL690629 0.98 SOAT1 (0.33) GPR84GCGRHSD11B1GPR3CNR1
SCHEMBL689040 0.96 PSMB5 (0.32) HSD11B1
Hydrochloric Acid SCHEMBL690847 0.95 PSMB5 (0.31)
SCHEMBL690450 0.91
Hydrochloric Acid SCHEMBL690747 0.90
SCHEMBL690189 0.89 GCGR (0.32) GCGR
SCHEMBL691048 0.88 GCGR (0.32) GCGR

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