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Fumaric Acid

Fumaric Acid

SCHEMBL5582503

C[N+](C)(CCc1cc(F)cc(F)c1)C[C@H](O)c1cc(O)cc2c1OCC(=O)N2.O=C(O)/C=C/C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 known ✓ P07550 19/20 0.59
▸ ADRB1 known ✓ P08588 6/20 0.49

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
SCHEMBL5165194 0.94 ADRB2 (0.65) ADRB2ADRB1
Fumaric Acid SCHEMBL5190364 0.93 ADRB2 (0.60) ADRB2ADRB1
Maleic Acid SCHEMBL5193091 0.88 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL5164807 0.87 ADRB2 (0.56) ADRB2ADRB1
Fumaric Acid SCHEMBL5190383 0.86 ADRB2 (0.58) ADRB2ADRB1
Hydrochloric Acid SCHEMBL5582900 0.86 ADRB2 (0.68) ADRB2ADRB1
Succinic Acid SCHEMBL5193604 0.85 ADRB2 (0.61) ADRB2ADRB1
Hydrochloric Acid SCHEMBL4593598 0.85 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL5189286 0.85 ADRB2 (0.55) ADRB2ADRB1
SCHEMBL5191034 0.84 ADRB2 (0.54) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789405-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-30 — — EP disclosed
WO-2005111005-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A DRUG BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — WO disclosed