SCHEMBL7597032

SCHEMBL7597032

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)(C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7599322 0.89
SCHEMBL5836075 0.87 KDM4E (0.32)
SCHEMBL1050096 0.86 ENPP3 (0.32) ALOX15CA12CA1CA2CA9
SCHEMBL7597004 0.85 ALOX15 (0.31) ALOX15
SCHEMBL7597786 0.85
SCHEMBL797691 0.81 CNR2 (0.33) ALOX15
SCHEMBL5837290 0.81
SCHEMBL7150484 0.81 CA12 (0.33) CA12CA1CA2CA9
Fluoride SCHEMBL7645016 0.80 CA12 (0.32) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6440146 0.80 ALDH1A1 (0.33) CA12CA1CA2CA9

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