Hexanoate

Hexanoate

SCHEMBL31031296

CCCCC(CC)C(=O)OOC(C)(C)C.CCCCCC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
AKR1B1 P15121 1/20 0.47
MAPK1 P28482 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL210333 0.89 CA2 (0.61) CA2CA1MAPK1TSHRALDH1A1
SCHEMBL10981779 0.81 FFAR4 (0.47) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL21925211 0.81 CA2 (0.50) CA2CA1MAPK1GPR84PPARD
SCHEMBL5916190 0.81 CA2 (0.48) CA2CA1MAPK1HDAC11TSHR
Dodecane SCHEMBL12472594 0.80 CA2 (0.54) CA2CA1MAPK1TSHRTDP1
Bicarbonate SCHEMBL28738575 0.80 CA2 (0.54) CA2CA1MAPK1TSHRALDH1A1
SCHEMBL37317 0.80 CA2 (0.58) CA2CA1MAPK1TSHRALDH1A1
Hexanoate SCHEMBL9341885 0.79 AKR1B1 (0.70) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL21834014 0.78 CA2 (0.56) CA2CA1MAPK1TSHRALDH1A1
Hydrogen Peroxide SCHEMBL15855960 0.78 CA2 (0.56) CA2CA1MAPK1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4717716-A1 POLYMERIZABLE COMPOSITION, ION EXCHANGE RESIN, ION EXCHANGE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, AND HYDROGEN PRODUCTION DEVICE TOKUYAMA CORPORATION (JP) 2026-04-01 EP disclosed
EP-4684878-A1 ION EXCHANGE MEMBRANE WOUND BODY, METHOD FOR MANUFACTURING ION EXCHANGE SHEET, AND METHOD FOR MANUFACTURING ION EXCHANGE MEMBRANE WOUND BODY TOKUYAMA CORPORATION (JP) 2026-01-28 EP disclosed
WO-2025023268-A1 WOVEN FABRIC, ION EXCHANGE MEMBRANE, ELECTRODIALYSIS DEVICE, DIFFUSION DIALYSIS DEVICE, WATER ELECTROLYSIS DEVICE, AND METHOD FOR PRODUCING ION EXCHANGE MEMBRANE 株式会社トクヤマ 2025-01-30 WO disclosed
WO-2024241769-A1 POLYMERIZABLE COMPOSITION, ION EXCHANGE RESIN, ION EXCHANGE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, AND HYDROGEN PRODUCTION DEVICE 株式会社トクヤマ 2024-11-28 WO disclosed
WO-2024195845-A1 ION EXCHANGE MEMBRANE WOUND BODY, METHOD FOR MANUFACTURING ION EXCHANGE SHEET, AND METHOD FOR MANUFACTURING ION EXCHANGE MEMBRANE WOUND BODY 株式会社トクヤマ 2024-09-26 WO disclosed
WO-2024162071-A1 COMPOSITION, POLYMERIZABLE COMPOSITION, ION-EXCHANGE RESIN, ION-EXCHANGE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, HYDROGEN PRODUCTION DEVICE, AND MANUFACTURING METHOD OF ION EXCHANGE MEMBRANE 株式会社トクヤマ 2024-08-08 WO disclosed