Ethyl Fumarate

Ethyl Fumarate

SCHEMBL1066994

C=C(C)C(=O)OC.CCOC(=O)C=CC(=O)O

nearest known ligand 0.67

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.50
▸ THRB P10828 2/20 0.40
▸ MAPT P10636 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MDM2 Q00987 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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 SCHEMBL27770914 0.86 HCAR2 (0.77) HCAR2ALDH1A1MAPTNPSR1LMNA
Ethyl Fumarate SCHEMBL1720179 0.86 HCAR2 (0.77) HCAR2ALDH1A1MAPTNPSR1LMNA
Ethyl Fumarate SCHEMBL10493518 0.86 HCAR2 (0.77) HCAR2ALDH1A1MAPTNPSR1LMNA
Ethyl Fumarate SCHEMBL27952657 0.86 HCAR2 (0.83) HCAR2ALDH1A1MAPTNPSR1LMNA
SCHEMBL770780 0.85 ALDH1A1 (0.48) HCAR2ALDH1A1THRBMAPTTSHR
SCHEMBL8098505 0.85 ALDH1A1 (0.52) HCAR2ALDH1A1THRBMAPTTSHR
SCHEMBL8098507 0.85 ALDH1A1 (0.52) HCAR2ALDH1A1THRBMAPTTSHR
Acrylic Acid Ethyl Ester SCHEMBL7588959 0.84 HCAR2 (0.46) HCAR2ALDH1A1THRBTSHRNPSR1
Fumaric Acid SCHEMBL10776632 0.84 ALDH1A1 (0.71) HCAR2ALDH1A1THRBMAPTKDM4E
Maleic Acid SCHEMBL8629341 0.84 ALDH1A1 (0.71) HCAR2ALDH1A1THRBMAPTKDM4E

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
US-7208257-B2 Electron beam curable toners and processes thereof XEROX CORPORATION (US) 2007-04-24 — — US claimed
US-20050287464-A1 Electron beam curable toners and processes thereof XEROX CORPORATION 2005-12-29 — — US claimed
EP-1610186-B1 Image forming process XEROX CORP (US) 2011-01-05 — — EP disclosed
US-7208257-B2 Electron beam curable toners and processes thereof XEROX CORPORATION (US) 2007-04-24 — — US disclosed
US-20050287464-A1 Electron beam curable toners and processes thereof XEROX CORPORATION 2005-12-29 — — US disclosed
EP-1610186-A2 Electron beam curable toners and processes thereof Xerox Corporation (US) 2005-12-28 — — EP disclosed
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