2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL8162293

CCCCC(CC)C(=O)O.CCCCCCCCCCCCN(C)C

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ DNM1 Q05193 4/20 0.52
▸ GRIK1 P39086 2/20 0.47
▸ GRIK2 Q13002 2/20 0.47
▸ CA1 P00915 4/20 0.47
▸ SLC1A2 P43004 2/20 0.46
▸ SLC1A1 P43005 2/20 0.46
▸ SLC1A3 P43003 1/20 0.46
▸ GPR84 Q9NQS5 3/20 0.43
▸ FFAR1 O14842 1/20 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
SCHEMBL17511725 0.89 DNM1 (0.56) CA2MAPK1DNM1GRIK1GRIK2
Hydrochloric Acid SCHEMBL10571309 0.89 CA2 (0.54) CA2MAPK1DNM1GPR84FFAR1
SCHEMBL8213258 0.89 CA2 (0.61) CA2MAPK1DNM1GRIK1GRIK2
SCHEMBL23177952 0.87 CA2 (0.59) CA2MAPK1DNM1GRIK1GRIK2
SCHEMBL8588142 0.87 CA2 (0.63) CA2MAPK1GRIK1GRIK2CA1
2-Ethylhexanoic Acid SCHEMBL8388309 0.87 CA2 (0.91) CA2MAPK1GRIK1GRIK2CA1
Dodecane SCHEMBL12472009 0.87 CA2 (0.91) CA2MAPK1GRIK1GRIK2CA1
Hexadecane SCHEMBL27518116 0.87 CA2 (0.91) CA2MAPK1GRIK1GRIK2CA1
2-Ethylhexanoic Acid SCHEMBL9578250 0.86 CA2 (0.69) CA2MAPK1DNM1GRIK1GRIK2
SCHEMBL3411319 0.86 GRIK1 (0.54) CA2MAPK1DNM1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087303-A METAL-FREE WOOD PRESERVATIVE CONSISTS OF A BIOCIDE CONTAINING DIMETHYL-DI-C8-C12 ALKYLAMMONIUM CARBOXYLATE OR BORATE AND AN AQUEOUS SOLVENT LONZA, INC. (US) 2000-07-11 — — US disclosed
US-4343891-A CONVERTING TO COMPOUND HAVING FEWER THAN FOUR CARBON-TO-BORON BONDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-08-10 — — US disclosed
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