Butyl Fumarate

Butyl Fumarate

SCHEMBL8072470

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

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.86
ATM Q13315 1/20 0.71
TSHR P16473 3/20 0.67
HPGD P15428 1/20 0.67
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
APP P05067 2/20 0.43

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 SCHEMBL27650796 0.93 HCAR2 (0.92) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL5606520 0.93 HCAR2 (0.92) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL29604195 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL43165 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL27358297 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL4376900 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Maleic Acid SCHEMBL28199237 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL124163 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Butyl Fumarate SCHEMBL43164 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT
Maleic Acid SCHEMBL27358295 0.93 HCAR2 (1.00) HCAR2ATMTSHRHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103596542-A Clear wet sprays and gels ISP INVESTMENTS INC 2014-02-19 CN disclosed
CN-1698574-B Hair fixative film AKZO NOBEL NV 2013-04-17 CN disclosed
CN-100531804-C Products comprising a sheet and a wax dispersion and its preparation method and uses JOHNSON & JOHNSON GMBH (DE) 2009-08-26 CN disclosed
CN-1723045-A Product comprising a wipe and a wax dispersion JOHNSON & JOHNSON GMBH (DE) 2006-01-18 CN disclosed
CN-1698574-A Hair fixative film NAT STARCH CHEM INVEST (US) 2005-11-23 CN disclosed
CN-1307904-A Near infrared ray irradiation method for cosmetics and its application BASF AG (DE) 2001-08-15 CN disclosed
US-6033817-A Toner for developing electrostatic image and image forming method CANON KABUSHIKI KAISHA (JP) 2000-03-07 US disclosed
US-5310615-A Magnetic toner and binder resin; high speed development; electrostatic latent images CANON KABUSHIKI KAISHA (JP) 1994-05-10 US disclosed