SCHEMBL6904136

SCHEMBL6904136

Cl[Zr](Cl)CC(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HTR2A P28223 1/20 0.35
SIGMAR1 Q99720 4/20 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
SCHEMBL820676 0.83 HTR6 (0.34) HTR6HTR2ASIGMAR1
SCHEMBL1921591 0.77 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL3383305 0.77 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL3383301 0.77 HTR2A (0.38) HTR6HTR2ASIGMAR1
SCHEMBL8198544 0.76 HTR2A (0.35) HTR6HTR2ASIGMAR1
SCHEMBL9860034 0.75 HTR2A (0.37) HTR6HTR2ASIGMAR1
SCHEMBL8384531 0.74 HTR2A (0.36) HTR6HTR2ASIGMAR1
SCHEMBL6673086 0.74 HTR2A (0.36) HTR6HTR2ASIGMAR1
SCHEMBL6752383 0.74 HTR2A (0.38) HTR6HTR2ASIGMAR1
Ethylene SCHEMBL820677 0.72 HTR2A (0.35) HTR6HTR2ASIGMAR1

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-0835886-B1 Process for preparing and using meso/racemic-(bis(indenyl)ethane)zirconium dichloride compounds ATOFINA RES (BE) 2004-02-25 EP claimed
EP-0835886-B1 Process for preparing and using meso/racemic-(bis(indenyl)ethane)zirconium dichloride compounds ATOFINA RES (BE) 2004-02-25 EP disclosed