2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL2493057

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.61
MAPK1 P28482 2/20 0.61
CA1 P00915 4/20 0.51
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
GAA P10253 2/20 0.39
ATM Q13315 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36

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
Bicarbonate SCHEMBL28738575 0.94 CA2 (0.54) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL37317 0.94 CA2 (0.58) CA2MAPK1CA1SLC1A2SLC1A1
Acetic Acid SCHEMBL8858200 0.91 CA2 (0.51) CA2MAPK1CA1SLC1A2SLC1A1
Dodecane SCHEMBL12472594 0.91 CA2 (0.54) CA2MAPK1CA1GAAATM
Tert-Butyl Hydroperoxide SCHEMBL3448286 0.89 CA2 (0.53) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL20477526 0.89 CA2 (0.62) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL21834014 0.89 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL10753123 0.88 CA2 (0.50) CA2MAPK1CA1GAAATM
SCHEMBL23036028 0.87 CA2 (0.50) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL2788481 0.87 CA2 (0.50) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076415-A1 MECHANICALLY INTERLOCKED MOLECULES-BASED MATERIALS FOR 3-D PRINTING TRUSTEES OF DARTMOUTH COLLEGE (US) 2024-03-07 US disclosed
US-20240002685-A1 THREE-DIMENSIONAL PRINTING WITH SUPRAMOLECULAR TEMPLATED HYDROGELS TRUSTEES OF DARTMOUTH COLLEGE (US) 2024-01-04 US disclosed
US-11845812-B2 Mechanically interlocked molecules-based materials for 3-D printing TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-12-19 US disclosed
US-11814527-B2 Three-dimensional printing with supramolecular templated hydrogels TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-11-14 US disclosed
US-20210171668-A1 MECHANICALLY INTERLOCKED MOLECULES-BASED MATERIALS FOR 3-D PRINTING TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-06-10 US disclosed
US-10954315-B2 Mechanically interlocked molecules-based materials for 3-D printing TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-03-23 US disclosed
US-10828399-B2 Three dimensional printing of supramolecular (hydro)gels THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-11-10 US disclosed
US-20200131383-A1 THREE-DIMENSIONAL PRINTING WITH SUPRAMOLECULAR TEMPLATED HYDROGELS TRUSTEES OF DARTMOUTH COLLEGE (US) 2020-04-30 US disclosed
US-20190144569-A1 MECHANICALLY INTERLOCKED MOLECULES-BASED MATERIALS FOR 3-D PRINTING TRUSTEES OF DARTMOUTH COLLEGE 2019-05-16 US disclosed
WO-2018200944-A1 THREE-DIMENSIONAL PRINTING WITH SUPRAMOLECULAR TEMPLATED HYDROGELS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-11-01 WO disclosed
US-20150202299-A1 STABILIZING SHEAR-THINNING HYDROGELS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-07-23 US disclosed
WO-2014028209-A1 STABILIZING SHEAR-THINNING HYDROGELS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-02-20 WO disclosed
US-8030410-B2 Reacting anionic living end polymer that is end capped with steric hindering carbonyl-containing compound to produce polymer with homolytically cleaveable group; engineering plastics BRIDGESTONE CORPORATION (JP) 2011-10-04 US disclosed
US-7737218-B2 Method for generating free radical capable polymers using tin or silicon halide compounds BRIDGESTONE CORPORATION (JP) 2010-06-15 US disclosed
US-7560509-B2 Method of directing grafting by controlling the location of high vinyl segments in a polymer BRIDGESTONE CORPORATION (JP) 2009-07-14 US disclosed
US-7396887-B1 Insitu removal of chelator from anionic polymerization reactions BRIDGESTONE CORPORATION (JP) 2008-07-08 US disclosed
US-20080161495-A1 Method for Generating Free Radical Capable Polymers Using Tin or Silicon Halide Compounds BRIDGESTONE CORPORATION (JP) 2008-07-03 US disclosed
US-20080161484-A1 Method of Directing Grafting by Controlling the Location of High Vinyl Segments in a Polymer BRIDGESTONE CORPORATION (JP) 2008-07-03 US disclosed
US-20080161501-A1 Method for generating free radical capable polymers using carbonyl-containing compounds BRIDGESTONE CORPORATION (JP) 2008-07-03 US disclosed
US-20080161455-A1 INSITU REMOVAL OF CHELATOR FROM ANIONIC POLYMERIZATION REACTIONS BRIDGESTONE CORPORATION (JP) 2008-07-03 US disclosed