SCHEMBL17433694

SCHEMBL17433694

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nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.60
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFE2L2 Q16236 3/20 0.50
KEAP1 Q14145 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TP53 P04637 1/20 0.33
GFPT1 Q06210 1/20 0.33

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
SCHEMBL1408458 0.91
SCHEMBL1408587 0.91
SCHEMBL11203915 0.86 HCAR2 (0.71) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL13285709 0.86 HCAR2 (0.71) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL13285710 0.86 HCAR2 (0.71) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL13285712 0.86 HCAR2 (0.71) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL11203918 0.86 HCAR2 (0.71) HCAR2ALDH1A1ALOX15RECQLHSD17B10
Carbon Monoxide SCHEMBL7008446 0.84 NFE2L2 (0.52) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL418689 0.81
SCHEMBL51021 0.81

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
EP-2975663-B1 ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE LG CHEMICAL LTD (KR) 2020-08-12 EP disclosed
US-9711729-B2 Organic electronic element comprising fullerene derivative LG CHEM, LTD. (KR) 2017-07-18 US disclosed
US-20160087213-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE LG CHEM, LTD. (KR) 2016-03-24 US disclosed
EP-2975663-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE LG Chem, Ltd. (KR) 2016-01-20 EP disclosed