Butyl Fumarate

Butyl Fumarate

SCHEMBL971541

CC(=O)O.CCCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.92
ATM Q13315 1/20 0.77
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.52
APP P05067 2/20 0.45

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
Butyl Fumarate SCHEMBL29604195 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL27358297 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Maleic Acid SCHEMBL27358295 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL124163 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL43164 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Maleic Acid SCHEMBL28199237 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL4376900 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL43165 0.96 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL6905849 0.94 HCAR2 (0.96) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL1223794 0.94 HCAR2 (0.96) HCAR2ATMMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948959-B1 Nonionically derivatized starches and their use in low voc, polyacrylic acid-containing hair fixative compositions NAT STARCH CHEM INVEST (US) 2008-12-31 EP claimed
EP-0948960-B1 Nonionically derivatized starches and their use in non-aerosol, low voc hair fixative compositions NAT STARCH CHEM INVEST (US) 2008-12-31 EP claimed
EP-0948958-B1 Non-ionically derivatized starches and their use in aerosol hair fixative compositions NAT STARCH CHEM INVEST (US) 2006-06-21 EP claimed
US-6562325-B2 Hair setting gel NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2003-05-13 US claimed
US-6413505-B1 SLURRY OF STARCH AND POLYMER; FILM FORMING NATIONA L STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2002-07-02 US claimed
US-6344183-B2 ALSO CONTAINING PROPELLANT, SOLVENT, AND WATER; LOW VISCOSITY; GOOD SPRAY CHARACTERISTICS; CLEAR, NON-TACKY FILM; GOOD STIFFNESS; HUMIDITY RESISTANCE NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2002-02-05 US claimed
US-20010018046-A1 USE OF STABILIZED STARCHES IN LOW VOC, POLYACRYLIC ACID-CONTAINING HAIR COSMETIC COMPOSITIONS AKZO NOBEL N.V. (NL) 2001-08-30 US claimed
US-20010007655-A1 AEROSOL HAIR COSMETIC COMPOSITIONS CONTAINING NON-IONICALLY DERIVATIZED STARCHES AKZO NOBEL N.V. (NL) 2001-07-12 US claimed
EP-0948960-A2 Nonionically derivatized starches and their use in non-aerosol, low voc hair fixative compositions National Starch and Chemical Investment Holding Corporation (US) 1999-10-13 EP claimed
EP-0948959-A2 Nonionically derivatized starches and their use in low voc, polyacrylic acid-containing hair fixative compositions National Starch and Chemical Investment Holding Corporation (US) 1999-10-13 EP claimed
EP-0948958-A2 Non-ionically derivatized starches and their use in aerosol hair fixative compositions National Starch and Chemical Investment Holding Corporation (US) 1999-10-13 EP claimed
EP-0635257-B1 Low VOC hair sprays with improved spray characteristics NAT STARCH CHEM INVEST (US) 1997-10-01 EP claimed
EP-0635257-A1 Low VOC hair sprays with improved spray characteristics National Starch and Chemical Investment Holding Corporation (US) 1995-01-25 EP claimed
US-20240158557-A1 MANUFACTURED POLYMERS HAVING ALTERED OLIGOSACCHARIDE OR POLYSACCHARIDE FUNCTIONALITY OR NARROWED OLIGOSACCHARIDE DISTRIBUTION, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM, AND METHODS OF USING THEM NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2024-05-16 US disclosed
EP-4341317-A1 MANUFACTURED POLYMERS HAVING ALTERED OLIGOSACCHARIDE OR POLYSACCHARIDE FUNCTIONALITY OR NARROWED OLIGOSACCHARIDE DISTRIBUTION, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM, AND METHODS OF USING THEM Nouryon Chemicals International B.V. (NL) 2024-03-27 EP disclosed
CN-117730109-A Artificial polymers with altered oligosaccharide or polysaccharide functionality or narrow oligosaccharide distribution, methods of making the same, compositions comprising the same, and methods of use thereof 诺力昂化学品国际有限公司 2024-03-19 CN disclosed
US-4567035-A Low molecular weight hair spray GAF CORPORATION (US) 1986-01-28 US disclosed
EP-0135983-A2 Low molucular weight hair spray resin GAF CORPORATION (US) 1985-04-03 EP disclosed
US-4155892-A Polyurethane thickeners for aqueous compositions ROHM AND HAAS COMPANY (US) 1979-05-22 US disclosed
US-4079028-A Polyurethane thickeners in latex compositions ROHM AND HAAS COMPANY (US) 1978-03-14 US disclosed