Ethyl Fumarate

Ethyl Fumarate

SCHEMBL2521076

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

nearest known ligand 0.83

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.83
MAPT P10636 6/20 0.43
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 3/20 0.40
MDM2 Q00987 2/20 0.40
MDM4 O15151 1/20 0.40
THRB P10828 1/20 0.39

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 SCHEMBL9467940 0.92 HCAR2 (0.83) HCAR2MAPTALDH1A1ATMNPSR1
Ethyl Fumarate SCHEMBL2776691 0.92 HCAR2 (0.83) HCAR2MAPTALDH1A1ATMNPSR1
Ethyl Fumarate SCHEMBL11309874 0.92 HCAR2 (0.83) HCAR2MAPTALDH1A1ATMNPSR1
Ethyl Fumarate SCHEMBL433385 0.91 HCAR2 (0.91) HCAR2MAPTALDH1A1ATMNPSR1
Ethyl Fumarate SCHEMBL28242388 0.91 HCAR2 (0.91) HCAR2MAPTALDH1A1ATMNPSR1
Ethyl Fumarate SCHEMBL433387 0.91 HCAR2 (0.91) HCAR2MAPTALDH1A1ATMNPSR1
Diethyl Maleate SCHEMBL10994278 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1ATMNPSR1
Ethyl Fumarate SCHEMBL60569 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1ATMNPSR1
Diethyl Maleate SCHEMBL9193839 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1ATMNPSR1
Diethyl Maleate SCHEMBL19873394 0.91 HCAR2 (1.00) HCAR2MAPTALDH1A1ATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053644-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD FOR MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-26 US claimed
US-8034527-B2 Core-shell polymer nanoparticles and method for making emulsion aggregation particles using same XEROX CORPORATION (US) 2011-10-11 US disclosed
US-20090053644-A1 CORE-SHELL POLYMER NANOPARTICLES AND METHOD FOR MAKING EMULSION AGGREGATION PARTICLES USING SAME XEROX CORPORATION (US) 2009-02-26 US disclosed