Fumaric Acid

Fumaric Acid

SCHEMBL8620660

O=C([O-])/C=C\C(=O)O.[Rb+]

nearest known ligand 0.00

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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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL8620664 1.00
Fumaric Acid SCHEMBL5799074 0.93 TSHR (0.60)
Fumaric Acid SCHEMBL3742400 0.93 TSHR (0.60)
Maleic Acid SCHEMBL8163405 0.93 TSHR (0.60)
Fumaric Acid SCHEMBL106909 0.93
Fumaric Acid SCHEMBL5816 0.93
Fumaric Acid SCHEMBL5819 0.93
Fumaric Acid SCHEMBL106910 0.93
Fumaric Acid SCHEMBL106606 0.93
Fumaric Acid SCHEMBL263298 0.93 TSHR (0.60)

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
EP-0543340-B1 Process for preparing lactones TOSOH CORP (JP) 1998-05-20 EP disclosed
US-5502217-A MULTISTAGE PROCESS WITH HYDROGENATION OF MALEIC ACID OR SUCCINIC ACID IN THE PRESENCE OF METAL TO FORM BUTYROLACTONE TOSOH CORPORATION (JP) 1996-03-26 US disclosed
EP-0543340-A1 Process for preparing lactones Tosoh Corporation (JP) 1993-05-26 EP disclosed