SCHEMBL6906407

SCHEMBL6906407

Cl[Ti](Cl)(C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2D6 P10635 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
SCHEMBL395683 0.85 HTR2A (0.38) HTR6HTR2ACYP2D6
Ethylene SCHEMBL9409610 0.82 HTR2A (0.35) HTR6HTR2A
SCHEMBL1929586 0.77 HTR2A (0.38) HTR6HTR2ACYP2D6
SCHEMBL18784868 0.77 GPR3 (0.41) HTR2ACYP2D6
SCHEMBL5396107 0.74
SCHEMBL5600879 0.73
SCHEMBL5390009 0.72
SCHEMBL5392642 0.71 SIGMAR1 (0.30)
SCHEMBL8656018 0.70 SIGMAR1 (0.34) HTR6HTR2ACYP2D6
SCHEMBL4373641 0.70 RET (0.33) HTR6HTR2ACYP2D6

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
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed