Ethyl Fumarate

Ethyl Fumarate

SCHEMBL1066889

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.55
ATM Q13315 1/20 0.45
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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 SCHEMBL1066300 0.93 HCAR2 (0.53) HCAR2ATMMAPTNPSR1ALDH1A1
Ethyl Fumarate SCHEMBL1064541 0.90 HCAR2 (0.57) HCAR2ATMTSHRMAPTNPSR1
Acrylic Acid SCHEMBL17746698 0.87 TSHR (0.46) HCAR2ATMTSHRHPGDMAPT
SCHEMBL250095 0.87 TSHR (0.47) HCAR2ATMTSHRHPGDMAPT
SCHEMBL313840 0.81 HCAR2 (0.53) HCAR2ATMTSHRHPGDMAPT
Acrolein SCHEMBL11765426 0.81 HCAR2 (0.46) HCAR2ATMTSHRHPGDMAPT
Ethyl Fumarate SCHEMBL5080517 0.80 HCAR2 (0.66) HCAR2ATMTSHRHPGDMAPT
Ethyl Fumarate SCHEMBL5080523 0.80 HCAR2 (0.66) HCAR2ATMTSHRHPGDMAPT
Acrylic Acid SCHEMBL17746670 0.79 HCAR2 (0.38) HCAR2TSHRHPGD
Acrylic Acid SCHEMBL17746673 0.79 HCAR2 (0.38) HCAR2TSHRMAPTNPSR1ALDH1A1

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