Ethyl Fumarate

Ethyl Fumarate

SCHEMBL9138192

C=C(C)C(=O)OC.C=CC(=O)OCC(F)(F)C(F)(F)F.CCOC(=O)/C=C\C(=O)O

nearest known ligand 0.46

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.46
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 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
Ethyl Fumarate SCHEMBL1066994 0.83 HCAR2 (0.67) HCAR2ALDH1A1THRBTSHR
Itaconate SCHEMBL9138161 0.80 ALOX15 (0.42) ALDH1A1MAPK1TP53CYP3A4SMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL27476038 0.80 ALDH1A1 (0.47) HCAR2ALDH1A1MAPK1TP53CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL3381657 0.80 ALDH1A1 (0.50) HCAR2ALDH1A1TP53CYP3A4SMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL7588959 0.79 HCAR2 (0.46) HCAR2ALDH1A1SMN1; SMN2THRBTSHR
Acrylic Acid Ethyl Ester SCHEMBL146757 0.78 ALDH1A1 (0.56) HCAR2ALDH1A1TP53CYP3A4HIF1A
Acrylic Acid Ethyl Ester SCHEMBL2097752 0.78 ALDH1A1 (0.56) HCAR2ALDH1A1TP53CYP3A4HIF1A
Acrylic Acid Ethyl Ester SCHEMBL6573893 0.78 ALDH1A1 (0.56) HCAR2ALDH1A1TP53CYP3A4HIF1A
Acrylic Acid Ethyl Ester SCHEMBL9342721 0.78 ALDH1A1 (0.56) HCAR2ALDH1A1TP53CYP3A4HIF1A
Acrylic Acid Ethyl Ester SCHEMBL8736158 0.78 ALDH1A1 (0.56) HCAR2ALDH1A1TP53CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5410005-A Comprising acrylic amide and ester copolymers and their salts, having carboxyl and sulfonic acid groups as well as fluoro JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1995-04-25 US disclosed
EP-0583918-A2 Reflection preventing film and process for forming resist pattern using the same JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-02-23 EP disclosed