Itaconate

Itaconate

SCHEMBL28181571

C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCOC(=O)C(=C)C.C=C(CC(=O)O)C(=O)O

nearest known ligand 0.48

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
DGKA P23743 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
Itaconate SCHEMBL9068839 0.92 THRB (0.53) THRBALOX15HSD17B10TSHRTDP1
Itaconate SCHEMBL10708114 0.87 THRB (0.44) THRBALOX15HSD17B10TSHRTDP1
SCHEMBL16609325 0.86 THRB (0.52) THRBALOX15HSD17B10TSHRTDP1
SCHEMBL28001101 0.84 THRB (0.53) THRBTSHRTDP1POLBAPEX1
SCHEMBL40323 0.84 THRB (0.53) THRBTSHRTDP1POLBAPEX1
Succinic Acid SCHEMBL28001100 0.84 THRB (0.53) THRBTSHRTDP1POLBAPEX1
SCHEMBL16744077 0.84 THRB (0.61) THRBTSHRTDP1POLBAPEX1
SCHEMBL124287 0.84 THRB (0.61) THRBTSHRTDP1POLBAPEX1
Ethylene SCHEMBL19516917 0.83 THRB (0.52) THRBTSHRTDP1POLBAPEX1
SCHEMBL10708383 0.83 THRB (0.52) THRBTSHRTDP1POLBAPEX1

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
CN-110471257-A The manufacturing method of photosensitive polymer combination, photosensitive dry film and its manufacturing method, resist film, substrate and plating forming object TOKYO OHKA KOGYO COMPANY 2019-11-19 CN disclosed
CN-103387777-B The forming method of diffusing agent composition and impurity diffusion layer 东京应化工业株式会社 2018-05-25 CN disclosed
CN-107390472-A Chemical amplification type positive photosensitive polymer combination 东京应化工业株式会社 2017-11-24 CN disclosed
CN-107272343-A Chemical amplification type positive photosensitive polymer combination 东京应化工业株式会社 2017-10-20 CN disclosed