Fumaric Acid

Fumaric Acid

SCHEMBL383940

CCCCC(CC)C[Sn+2]CC(CC)CCCC.O=C([O-])/C=C\C(=O)[O-]

nearest known ligand 0.51

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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 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 2/20 0.35

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
Acrylic Acid SCHEMBL4445225 0.88 TSHR (0.51) CA2ALDH1A1TSHRCYP3A4TDP1
Acetic Acid SCHEMBL4447848 0.87 CA2 (0.56) CA2ALDH1A1TSHRCYP3A4TDP1
Adipic Acid SCHEMBL673668 0.83 CA2 (0.66) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL383214 0.83 CA2 (0.51) CA2ALDH1A1TSHRCYP3A4TDP1
Hexanoate SCHEMBL6433822 0.81 CA2 (0.64) CA2ALDH1A1TSHRCYP3A4TDP1
2-Ethylhexanoic Acid SCHEMBL674477 0.81 CA2 (0.68) CA2ALDH1A1TSHRCYP3A4TDP1
Fumaric Acid SCHEMBL28509894 0.81 CA2 (0.53) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL384589 0.80 CA2 (0.49) CA2ALDH1A1TSHRCYP3A4TDP1
Dodecanoate SCHEMBL4445235 0.80 CA2 (0.62) CA2TSHRCYP3A4TDP1ATM
Stearic Acid SCHEMBL4454256 0.80 CA2 (0.62) CA2TSHRCYP3A4TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456746-B1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE BRIDGESTONE CORP (JP) 2023-04-19 EP disclosed
EP-3851489-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT BRIDGESTONE CORPORATION (JP) 2021-07-21 EP disclosed
US-10875937-B2 Terminal-modified conjugated diene polymer, rubber composition and rubber article BRIDGESTONE CORPORATION (JP) 2020-12-29 US disclosed
WO-2020054484-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT 株式会社ブリヂストン 2020-03-19 WO disclosed
US-20190161571-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT AND METHOD FOR MANUFACTURING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER BRIDGESTONE CORPORATION (JP) 2019-05-30 US disclosed
EP-3466985-A1 TERMINALLY MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT, AND METHOD FOR PRODUCING TERMINALLY MODIFIED CONJUGATED DIENE POLYMER Bridgestone Corporation (JP) 2019-04-10 EP disclosed
EP-3456746-A1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE Bridgestone Corporation (JP) 2019-03-20 EP disclosed
EP-2098541-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-06-05 EP disclosed
US-8309657-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-11-13 US disclosed
US-8101671-B2 Polyolefin resin foam and the process for producing the same JSR CORPORATION (JP) 2012-01-24 US disclosed
EP-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 EP disclosed
US-20040147694-A1 Method of producing conjugated diene polymers with narrow molecular weight distribution and polymer produced JSR CORPORATION 2004-07-29 US disclosed
EP-0957115-B1 Method for producing conjugated diene polymers JSR CORP (JP) 2003-12-03 EP disclosed
EP-0863165-B1 Method of producing conjugated diene polymers JSR CORP (JP) 2003-06-04 EP disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 US disclosed
US-6255416-B1 POLYMERIZING CONJUGATED DIENE COMPOUND WITH CATALYST CONSISTING ESSENTIALLY OF COMPOUND CONTAINING RARE EARTH ELEMENT, ALUMOXANE, ORGANOALUMINUM COMPOUND, REACTION PRODUCT OF METAL HALIDE AND LEWIS BASE JSR CORPORATION (JP) 2001-07-03 US disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 EP disclosed
EP-0957115-A1 Method for producing conjugated diene polymers JSR Corporation (JP) 1999-11-17 EP disclosed
EP-0863165-A1 Method of producing conjugated diene polymers JSR Corporation (JP) 1998-09-09 EP disclosed
US-4191587-A TREATING WITH AN ORGANOSILICON COMPOUND AND A TIN COMPOUND WACKER-CHEMIE GMBH (DE) 1980-03-04 US disclosed