SCHEMBL3718520

SCHEMBL3718520

C[NH+](C)C1CCCCC1.C[NH+](C)Cc1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 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
SCHEMBL410285 0.85 TP53 (0.37)
SCHEMBL410987 0.82
SCHEMBL6066126 0.81
SCHEMBL30087015 0.80 TP53 (0.32)
SCHEMBL6066112 0.79 TP53 (0.31)
SCHEMBL6064946 0.78 TP53 (0.33)
Dibemethine SCHEMBL6065086 0.76 TP53 (0.37)
SCHEMBL6065799 0.75 TAS1R3 (0.34)
SCHEMBL6066084 0.75 TP53 (0.33)
SCHEMBL6064871 0.75 KDM4E (0.36)

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
EP-2142576-A1 POLYETHYLENE, PROCESS AND CATALYST COMPOSITION FOR THE PREPARATION THEREOF Basell Polyolefine GmbH (DE) 2010-01-13 EP disclosed
WO-2008132059-A1 POLYETHYLENE, PROCESS AND CATALYST COMPOSITION FOR THE PREPARATION THEREOF BASELL POLYOLEFINE GMBH (DE) 2008-11-06 WO disclosed