SCHEMBL4299465

SCHEMBL4299465

Clc1cc(Cl)c(N(c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 7/20 0.45
HSD17B10 Q99714 5/20 0.45
CYP3A4 P08684 5/20 0.45
RECQL P46063 3/20 0.45
HPGD P15428 3/20 0.39
AHR P35869 2/20 0.39
TP53 P04637 3/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35

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
SCHEMBL2091395 0.75 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL11882776 0.75 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL950545 0.72 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL2937097 0.70 TSHR (0.67) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL20503204 0.68 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL358001 0.67 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL1040998 0.65 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL4077910 0.65 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10CYP3A4RECQL
1,3,5-Trichlorobenzene SCHEMBL429512 0.64
SCHEMBL23532343 0.63 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585590-B2 Rechargeable lithium-ion cell with triphenylamine redox shuttle 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-08 US claimed
EP-1994600-A2 RECHARGEABLE LITHIUM-ION CELL WITH TRIPHENYLAMINE REDOX SHUTTLE 3M Innovative Properties Company (US) 2008-11-26 EP claimed
WO-2007097912-A2 RECHARGEABLE LITHIUM-ION CELL WITH TRIPHENYLAMINE REDOX SHUTTLE 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-30 WO claimed
US-20070196727-A1 Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle 3M INNOVATIVE PROPERTIES COMPANY 2007-08-23 US claimed