2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL498918

CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[SnH2].[Sn]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.91
MAPK1 P28482 2/20 0.91
CA1 P00915 4/20 0.59
SLC1A2 P43004 3/20 0.57
SLC1A1 P43005 3/20 0.57
SLC1A3 P43003 2/20 0.57
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50

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
2-Ethylhexanoic Acid SCHEMBL106455 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL19547935 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL161915 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL29438778 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL7781723 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL14637946 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL29926914 0.98 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL17911343 0.95 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL282014 0.95 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.95 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1

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
US-8106124-B2 Antifog coating and antifog article CENTRAL GLASS COMPANY, LIMITED (JP) 2012-01-31 US disclosed
EP-2377519-A2 Pharmaceutical Composition Comprising Octreotide Microparticles Novartis AG (CH) 2011-10-19 EP disclosed
WO-2011112576-A1 MICROSPHERES FOR SUSTAINED RELEASE OF OCTREOTIDE ACETATE AMBRILIA BIOPHARMA INC. (CA) 2011-09-15 WO disclosed
EP-1413592-B1 Monomer addition techniques to control manufacturing of bioabsorbable copolymers ETHICON INC (US) 2011-05-11 EP disclosed
EP-2310063-A2 CONTROLLED AND LOCALIZED RELEASE OF RETINOIDS TO IMPROVE NEOINTIMAL HYPERPLASIA Vesseltek Biomedical, Llc (US) 2011-04-20 EP disclosed
US-7914552-B2 Method of performing an end-to-end anastomosis using a stent and an adhesive ETHICON ENDO-SURGERY, INC. (US) 2011-03-29 US disclosed