2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL9736177

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

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.80
MAPK1 P28482 1/20 0.80
CA1 P00915 4/20 0.53
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
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
SLC1A3 P43003 1/20 0.52
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49

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
Cetyl Alcohol SCHEMBL27568372 0.98 CA2 (0.77) CA2MAPK1CA1CHRM1AKR1A1
Cetostearyl Alcohol SCHEMBL28258762 0.98 CA2 (0.77) CA2MAPK1CA1CHRM1AKR1A1
2-Ethylhexanoic Acid SCHEMBL8592319 0.94 CA2 (0.83) CA2MAPK1CA1CHRM1AKR1A1
2-Ethylhexanoic Acid SCHEMBL28298293 0.94 CA2 (0.83) CA2MAPK1CA1CHRM1AKR1A1
2-Ethylhexanoic Acid SCHEMBL5046747 0.92 CA2 (0.87) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL9633629 0.92 CA2 (0.65) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL3686551 0.92 CA2 (0.65) CA2MAPK1CA1CHRM1AKR1A1
2-Ethylhexanoic Acid SCHEMBL229027 0.92 CA2 (0.87) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL29665607 0.92 CA2 (0.65) CA2MAPK1CA1CHRM1AKR1A1
SCHEMBL6097748 0.92 CA2 (0.65) CA2MAPK1CA1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169564-A Thermooxidatively stable compositions KING INDUSTRIES, INC. (US) 1992-12-08 US disclosed
US-5133900-A Thermooxidatively stable compositions KING INDUSTRIES, INC. (US) 1992-07-28 US disclosed
EP-0393732-A2 Thermooxidatively stable compositions KING INDUSTRIES, INC. (US) 1990-10-24 EP disclosed
US-4806675-A CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE MALLINCKRODT, INC. (US) 1989-02-21 US disclosed
US-4794138-A STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION MALLINCKRODT, INC. (US) 1988-12-27 US disclosed
US-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed
US-4734519-A STABILIZERS MALLINCKRODT, INC. (US) 1988-03-29 US disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP disclosed
US-4207229-A STABILIZING POLYPROPYLENE AGAINST THERNAL, OXIDATIVE AND ULTRAVIOLET LIGHT DEGRADATION CIBA-GEIGY CORPORATION (US) 1980-06-10 US disclosed
US-4195016-A STABILIZERS OF POLYMERS AGAINST THERMAL, OXIDATIVE, AND ULTRAVIOLET LIGHT DEGRADATION CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4182704-A STABILIZERS CIBA-GEIGY CORPORATION (US) 1980-01-08 US disclosed
US-4180497-A STABILIZERS FOR ORGANIC POLYMERS AGAINST THERMAL, OXIDATIVE AND UV LIGHT DEGRADATION CIBA-GEIGY CORPORATION (US) 1979-12-25 US disclosed
US-4180498-A STABILIZERS OF POLYMERS AGAINST THERMAL, OXIDATIVE, AND ULTRAVIOLET LIGHT DEGRADATION CIBA-GEIGY CORPORATION (US) 1979-12-25 US disclosed
US-4163006-A AGAINST OXIDATIVE AND UV LIGHT DEGRADATION CIBA-GEIGY CORPORATION (US) 1979-07-31 US disclosed
US-4094855-A Hindered phenyl phosphites CIBA-GEIGY CORPORATION (US) 1978-06-13 US disclosed
US-4031068-A Non-migratory sulfonyl azide antioxidants UNIROYAL INC. (US) 1977-06-21 US disclosed