SCHEMBL7626786

SCHEMBL7626786

CCCC[Zr](C)(C)(C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SOAT1 P35610 2/20 0.30
TSHR P16473 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
SCHEMBL7630525 0.87 PDCD1 (0.34) PDCD1CD274
SCHEMBL5223075 0.86 BCHE (0.32) BCHEACHEPDCD1CD274KDM4E
SCHEMBL27449235 0.86 BCHE (0.32) BCHEACHEPDCD1CD274KDM4E
SCHEMBL796297 0.84 BCHE (0.31) BCHEACHE
SCHEMBL797102 0.82
SCHEMBL797532 0.81
Hydrochloric Acid SCHEMBL5552434 0.81 SOAT1 (0.33) BCHEACHESOAT1
SCHEMBL7186884 0.79 SOAT1 (0.31) BCHEACHESOAT1
SCHEMBL1240198 0.78 BCHE (0.30) BCHEACHE
SCHEMBL7907796 0.78 BCHE (0.30) BCHEACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417302-B1 REACTION PRODUCT OF DI(PENTAFLUOROPHENYL) BORINIC ACID AND ORGANOALUMINUM COMPOUND; OLEFIN POLYMERIZATION COORDINATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2002-07-09 US disclosed