Hexyl Fumarate

Hexyl Fumarate

SCHEMBL30853649

CCCCCC/C(=C/C(=O)O)C(=O)O.CCCCCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.72
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 4/20 0.40
PRKCA P17252 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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 SCHEMBL31207800 0.92 HCAR2 (0.71) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL144995 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL1400161 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Fumaric Acid SCHEMBL7550623 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL1578810 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Hexyl Fumarate SCHEMBL981514 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Hexyl Fumarate SCHEMBL1419926 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL1250941 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL1579043 0.85 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1
Stearyl Fumaric Acid SCHEMBL809427 0.85 HCAR2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118050955-A Solder resist composition 株式会社KCC 2024-05-17 CN disclosed