Fumaric Acid

Fumaric Acid

SCHEMBL2352047

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.55
KMT2A known ✓ Q03164 1/20 0.55
CHRM3 known ✓ P20309 2/20 0.33
ADRA2A known ✓ P08913 1/20 0.33
ADRA1A known ✓ P35348 1/20 0.33
CHRM2 known ✓ P08172 1/20 0.33
HTR1A known ✓ P08908 1/20 0.33
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
SLC5A7 Q9GZV3 1/20 0.55
BBOX1 O75936 1/20 0.52
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GALR3 O60755 1/20 0.38
ACHE P22303 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
PGR P06401 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRNB2 P17787 1/20 0.33

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 SCHEMBL2352041 1.00 MEN1 (0.55) MEN1LMNAKMT2ACYP3A4SLC5A7
Fumaric Acid SCHEMBL2355578 1.00 MEN1 (0.55) MEN1LMNAKMT2ACYP3A4SLC5A7
Fumaric Acid SCHEMBL17894109 0.98 CYP3A4 (0.59) MEN1LMNAKMT2ACYP3A4SLC5A7
Fumaric Acid SCHEMBL7046696 0.98 MEN1 (0.52) MEN1LMNAKMT2ACYP3A4SLC5A7
Fumaric Acid SCHEMBL7046688 0.98 MEN1 (0.52) MEN1LMNAKMT2ACYP3A4SLC5A7
Fumaric Acid SCHEMBL6545636 0.92 MEN1 (0.46) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL27138125 0.89 MEN1 (0.48) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL27137055 0.86 BBOX1 (0.53) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL119824 0.85 LMNA (0.67) MEN1LMNAKMT2ACYP3A4SLC5A7
Sorbic Acid SCHEMBL7044434 0.84 MEN1 (0.43) MEN1LMNAKMT2ACYP3A4SLC5A7

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP claimed
US-11021561-B2 Amine composition useful for making polyurethane foam EVONIK OPERATIONS GMBH (DE) 2021-06-01 US claimed
EP-3481878-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM Evonik Degussa GmbH (DE) 2019-05-15 EP claimed
WO-2018013590-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK DEGUSSA GMBH (DE) 2018-01-18 WO claimed
US-20180009930-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2018-01-11 US claimed
EP-3144332-A1 NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-03-22 EP claimed
EP-1852450-B1 New trimer catalyst additives for improving foam processability AIR PROD & CHEM (US) 2016-12-14 EP claimed
US-20140042361-A1 TRIMER CATALYSTS WITH IMPROVED PROCESSABILITY AND SURFACE CURE EVONIK OPERATIONS GMBH (DE) 2014-02-13 US claimed
US-20140005037-A1 TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY EVONIK OPERATIONS GMBH (DE) 2014-01-02 US claimed
US-20070259773-A1 Trimer catalyst additives for improving foam processability EVONIK OPERATIONS GMBH (DE) 2007-11-08 US claimed
EP-1852449-A2 New trimer catalyst with improved processability and surface cure Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed
EP-1852450-A2 New trimer catalyst additives for improving foam processability Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP disclosed
US-11021561-B2 Amine composition useful for making polyurethane foam EVONIK OPERATIONS GMBH (DE) 2021-06-01 US disclosed
EP-3310827-B1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2021-01-06 EP disclosed
EP-3144332-B1 NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY EVONIK OPERATIONS GMBH (DE) 2020-10-21 EP disclosed
US-20070259773-A1 Trimer catalyst additives for improving foam processability EVONIK OPERATIONS GMBH (DE) 2007-11-08 US disclosed
EP-1852449-A2 New trimer catalyst with improved processability and surface cure Air Products and Chemicals, Inc. (US) 2007-11-07 EP disclosed
EP-1852450-A2 New trimer catalyst additives for improving foam processability Air Products and Chemicals, Inc. (US) 2007-11-07 EP disclosed
EP-1852448-A2 New trimerization catalysts from sterically hindered salts Air Products and Chemicals, Inc. (US) 2007-11-07 EP disclosed