SCHEMBL3397189

SCHEMBL3397189

CCC1=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc2C1[Zr](Cl)(Cl)(C1C(C)=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc21)[SiH](CC)CC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR5 Q9H228 1/20 0.34
PTGS2 P35354 1/20 0.31

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
SCHEMBL3403027 0.93 S1PR1 (0.34) S1PR1S1PR5PTGS2
SCHEMBL5350925 0.88 S1PR1 (0.34) S1PR1S1PR5PTGS2
SCHEMBL3400044 0.87 CYP3A4 (0.31) S1PR1S1PR5
SCHEMBL5951608 0.86 S1PR1 (0.38) S1PR1S1PR5PTGS2
SCHEMBL3398865 0.85
SCHEMBL3402579 0.84 EDNRB (0.31)
Hydrochloric Acid SCHEMBL3397192 0.84 S1PR1 (0.34) S1PR1S1PR5PTGS2
Hydrochloric Acid SCHEMBL3403030 0.84 S1PR1 (0.34) S1PR1S1PR5PTGS2
SCHEMBL4463738 0.83 S1PR1 (0.32) S1PR1S1PR5PTGS2
SCHEMBL4475911 0.83 S1PR1 (0.32) S1PR1S1PR5PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235071-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS Novolen Technology Holdings, C.V. (NL) 2010-10-06 EP claimed
WO-2009054833-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) 2009-04-30 WO claimed
EP-2235071-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS Novolen Technology Holdings, C.V. (NL) 2010-10-06 EP disclosed
WO-2009054833-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) 2009-04-30 WO disclosed