SCHEMBL7602900

SCHEMBL7602900

C[Ti](C)(C)(=[SiH2])(c1ccccc1)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.33
HTR6 P50406 1/20 0.32
HTR2A P28223 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
SCHEMBL7600847 0.86 SIGMAR1 (0.35) SIGMAR1HTR6HTR2A
SCHEMBL2534282 0.82 HTR2A (0.35) SIGMAR1HTR6HTR2A
SCHEMBL7584104 0.79 HTR6 (0.32) SIGMAR1HTR6HTR2A
SCHEMBL8096661 0.79 HTR2A (0.33) SIGMAR1HTR6HTR2A
SCHEMBL797003 0.76 SIGMAR1 (0.32) SIGMAR1HTR2A
SCHEMBL8373509 0.76 SIGMAR1 (0.39) SIGMAR1HTR6HTR2A
SCHEMBL796826 0.74 SIGMAR1 (0.32) SIGMAR1HTR6HTR2A
SCHEMBL7941311 0.72 SIGMAR1 (0.31) SIGMAR1HTR2A
SCHEMBL796809 0.71 KDM4E (0.33) SIGMAR1HTR6HTR2A
SCHEMBL7927218 0.71 SIGMAR1 (0.30) SIGMAR1

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed