SCHEMBL7605525

SCHEMBL7605525

C[Zr](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
SCHEMBL6906180 0.86 SIGMAR1 (0.33) SIGMAR1HTR6HTR2A
SCHEMBL5354275 0.82 HTR2A (0.35) SIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL9069920 0.80 HTR2A (0.34) SIGMAR1HTR6HTR2A
SCHEMBL6857340 0.79 HTR6 (0.32) SIGMAR1HTR6HTR2A
SCHEMBL4428760 0.79 HTR2A (0.33) SIGMAR1HTR6HTR2A
SCHEMBL8678682 0.77 SIGMAR1 (0.31) SIGMAR1HTR6HTR2A
SCHEMBL797616 0.76 SIGMAR1 (0.32) SIGMAR1HTR2A
SCHEMBL7766805 0.76 HTR2A (0.35) SIGMAR1HTR6HTR2A
SCHEMBL7766831 0.76 SIGMAR1 (0.42) SIGMAR1HTR6HTR2A
SCHEMBL7601481 0.74

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