SCHEMBL536429

SCHEMBL536429

c1coc(CO[Ti](OCc2ccco2)(OCc2ccco2)OCc2ccco2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GAA P10253 1/20 0.48
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 2/20 0.39
CHRM2 P08172 1/20 0.38
MAPT P10636 3/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.37
ALOX5 P09917 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL11749020 0.80 ALDH1A1 (0.57) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL891457 0.78 ALDH1A1 (0.55) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL10485701 0.76 ALDH1A1 (0.53) ALDH1A1GAASLC1A3SLC1A2SLC1A1
SCHEMBL9239311 0.74
SCHEMBL9463645 0.74
SCHEMBL5483670 0.74
SCHEMBL4460549 0.74
SCHEMBL872796 0.74
SCHEMBL288032 0.74
SCHEMBL2091001 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415106-B1 ELECTROACTIVE MATERIAL AND ITS USE IN ANODES FOR LITHIUM-ION CELLS BASF SE (DE) 2014-08-20 EP disclosed
EP-2414457-B1 METHOD FOR THE PRODUCTION OF COMPOSITE MATERIALS BASF SE (DE) 2013-01-09 EP disclosed
EP-2415106-A1 ELECTROACTIVE MATERIAL, AND USE THEREOF IN ANODES FOR LITHIUM-ION CELLS BASF SE (DE) 2012-02-08 EP disclosed
EP-2414457-A1 METHOD FOR THE PRODUCTION OF COMPOSITE MATERIALS BASF SE (DE) 2012-02-08 EP disclosed
WO-2010112580-A1 ELECTROACTIVE MATERIAL, AND USE THEREOF IN ANODES FOR LITHIUM-ION CELLS BASF SE (DE) 2010-10-07 WO disclosed
WO-2010112581-A1 METHOD FOR THE PRODUCTION OF COMPOSITE MATERIALS BASF SE (DE) 2010-10-07 WO disclosed