SCHEMBL5611995

SCHEMBL5611995

CC(C)C/C(C(=O)OCCC(F)(F)F)=C(\CC(C)C)C(=O)OCCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31
CA2 P00918 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
SCHEMBL5612008 1.00 ALDH1A1 (0.32) ALDH1A1TDP1HTTSLC13A3CA2
SCHEMBL25755692 0.81 MMP1 (0.37) ALDH1A1TDP1HTTSLC13A3CA2
SCHEMBL5612303 0.77
SCHEMBL5612293 0.77
SCHEMBL10009354 0.76 ALDH1A1 (0.37) ALDH1A1TDP1CA2
SCHEMBL10009356 0.76 ALDH1A1 (0.37) ALDH1A1TDP1CA2
SCHEMBL124874 0.74 SLC13A3 (0.35) HTTSLC13A3
SCHEMBL8092252 0.74 HTT (0.37) ALDH1A1HTTSLC13A3
SCHEMBL5611997 0.73 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL5612007 0.73 ALDH1A1 (0.48) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425317-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2007-12-19 EP disclosed
US-7015170-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2006-03-21 US disclosed
EP-1425317-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.p.A. (IT) 2004-06-09 EP disclosed
US-20040014595-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-01-22 US disclosed
WO-2003022894-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-03-20 WO disclosed