Butyl Fumarate

Butyl Fumarate

SCHEMBL27358297

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

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 1.00
ATM Q13315 1/20 0.83
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.50
APP P05067 2/20 0.47

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 SCHEMBL43165 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Maleic Acid SCHEMBL28199237 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL43164 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL4376900 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL124163 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Maleic Acid SCHEMBL27358295 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL29604195 1.00 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL6905849 0.98 HCAR2 (0.96) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL1223794 0.98 HCAR2 (0.96) HCAR2ATMMAPTRAB9ANPSR1
Butyl Fumarate SCHEMBL18628256 0.98 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181402-C Tuning agent for electrostatic image development and thermal fixation 佳能株式会社 2004-12-22 CN disclosed
CN-1087840-C Toner for developing electrostatic image and thermal alignment method using the same CANON KK (JP) 2002-07-17 CN disclosed
CN-1313528-A Tuning agent for electrostatic image development and thermal fixation CANON KK (JP) 2001-09-19 CN disclosed
CN-1070490-A Toner for developing electrostatic image and heat-fixing CANON KK (JP) 1993-03-31 CN disclosed