Fumaric Acid

Fumaric Acid

SCHEMBL4953256

CC[N+](C)(C)C.O=C([O-])C=CC(=O)O

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.50
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
HCAR2 Q8TDS4 6/20 0.40
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
Fumaric Acid SCHEMBL4926059 1.00 BBOX1 (0.50) BBOX1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL4926168 1.00 BBOX1 (0.50) BBOX1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL2457508 0.91 BBOX1 (0.45) BBOX1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL2457505 0.91 BBOX1 (0.45) BBOX1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL4929245 0.91 BBOX1 (0.45) BBOX1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL4951502 0.91 BBOX1 (0.58) BBOX1TSHRCA1CA9
Fumaric Acid SCHEMBL4917936 0.91 BBOX1 (0.58) BBOX1TSHRCA1CA9
Fumaric Acid SCHEMBL4917599 0.91 BBOX1 (0.58) BBOX1TSHRCA1CA9
Fumaric Acid SCHEMBL6853046 0.88 BBOX1 (0.56) BBOX1TSHRCA1CA9
Maleic Acid SCHEMBL4953224 0.88 TSHR (0.53) TSHRTP53EGLN1EGLN3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP claimed
US-5457599-A Solute for electrolyte is quaternaryammonium salt of caboxylic acid selected from phthalic acid, tetrahydrophthalic acid, maleic acid, hexahydrophthalic acid or an alkyl or nitro substituent of above acids; high temperature stability MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1995-10-10 US claimed
EP-2003157-A2 Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications Air Products and Chemicals, Inc. (US) 2008-12-17 EP disclosed
EP-0708452-B1 Ion-conductive polymer electrolyte, method for producing the electrolyte and capacitors using the electrolyte MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2004-05-26 EP disclosed
US-6043975-A ELECTROLYTE IS COPOLYMER OF A HYDROXYALKYL (METH) ACRYLATE OR VINYLIDENE CARBONATE AND AMMONIUM CARBOXYLATE SUCH AS TRIETHYLMETHYLAMMONIUM HYDROGEN MALEATE (MAH3E1M), IN WHICH IONS DISSOCIATED FROM MAH3E1M SERVE AS THE CONDUCTIVE SPECIES MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0684619-B1 Ion-conductive polymer electrolyte and electrolytic capacitor using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2000-03-08 EP disclosed
US-5900182-A SOLID ELECTROLYTE CONTAINING COPOLYMERS OF HYDROXYALKYL ACRYLATES AND QUATERNARY AMMONIUM OR MORPHOLINIUM CARBOXYLATES OR DICARBOXYLATES, STORAGE STABILITY, HEAT RESISTANCE, HIGH CONDUCTIVITY MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1999-05-04 US disclosed
EP-0708452-A1 Ion-conductive polymer electrolyte, method for producing the electrolyte and capacitors using the electrolyte MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1996-04-24 EP disclosed
US-4892944-A Process for producing quaternary salts MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-01-09 US disclosed
EP-0291074-A2 Process for producing quaternary salts MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-11-17 EP disclosed