2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL906503

CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Ti]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.95
MAPK1 P28482 2/20 0.95
CA1 P00915 4/20 0.61
SLC1A2 P43004 3/20 0.59
SLC1A1 P43005 3/20 0.59
SLC1A3 P43003 2/20 0.59
CHRM1 P11229 1/20 0.54
AKR1A1 P14550 1/20 0.54
CHRM3 P20309 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GRIK1 P39086 2/20 0.52
GRIK2 Q13002 2/20 0.52

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 SCHEMBL18528789 1.00 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL27901780 1.00 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL316405 1.00 CA2 (0.95) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL9069945 0.98 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6917134 0.98 CA2 (0.91) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.98 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.98 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL282014 0.98 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.98 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8387406 0.98 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345947-B1 SHOCK-ABSORBING MEMBER, SHOCK-ABSORBING MEMBER FOR AUTOMATIC MOVEMENT DEVICE FOR PAINTING, AUTOMATIC MOVEMENT DEVICE WITH SHOCK-ABSORBING MEMBER, AND AUTOMATIC MOVEMENT DEVICE FOR PAINTING WITH SHOCK-ABSORBING MEMBER MITSUI CHEMICALS INC (JP) 2022-07-06 EP disclosed
US-10913251-B2 Buffer material, buffer material for coating robot, robot with buffer material, and coating robot with buffer material MITSUI CHEMICALS, INC. (JP) 2021-02-09 US disclosed
EP-3444236-B1 XYLYLENEDIISOCYANATE COMPOSITION, RESIN, AND POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2020-12-30 EP disclosed
US-20190106529-A1 XYLYLENE DIISOCYANATE COMPOSITION, RESIN, AND POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2019-04-11 US disclosed
EP-3037411-B1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-03-27 EP disclosed
EP-3444236-A1 XYLYLENEDIISOCYANATE COMPOSITION, RESIN, AND POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2019-02-20 EP disclosed
US-20180257355-A1 BUFFER MATERIAL, BUFFER MATERIAL FOR COATING ROBOT, ROBOT WITH BUFFER MATERIAL, AND COATING ROBOT WITH BUFFER MATERIAL MITSUI CHEMICALS, INC. (JP) 2018-09-13 US disclosed
US-20180208708-A1 RIGID POLYURETHANE RESIN COMPOSITION, RIGID POLYURETHANE RESIN, MOLDED ARTICLE, AND FIBER REINFORCED PLASTIC MITSUI CHEMICALS, INC. (JP) 2018-07-26 US disclosed
EP-3345947-A1 SHOCK-ABSORBING MEMBER, SHOCK-ABSORBING MEMBER FOR AUTOMATIC MOVEMENT DEVICE FOR PAINTING, AUTOMATIC MOVEMENT DEVICE WITH SHOCK-ABSORBING MEMBER, AND AUTOMATIC MOVEMENT DEVICE FOR PAINTING WITH SHOCK-ABSORBING MEMBER Mitsui Chemicals, Inc. (JP) 2018-07-11 EP disclosed
EP-3327058-A1 HARD POLYURETHANE RESIN COMPOSITION, HARD POLYURETHANE RESIN, MOLDED ARTICLE, AND FIBER-REINFORCED PLASTIC Mitsui Chemicals, Inc. (JP) 2018-05-30 EP disclosed
EP-3168256-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS Mitsui Chemicals, Inc. (JP) 2017-05-17 EP disclosed
US-9475903-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-9477012-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
EP-3037411-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS Mitsui Chemicals, Inc. (JP) 2016-06-29 EP disclosed
US-20150346387-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
US-20150342276-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
EP-2236554-B1 TIRE BRIDGESTONE CORP (JP) 2013-08-07 EP disclosed
US-20110160388-A1 PROCESS FOR PRODUCTION OF MODIFIED CONJUGATED DIENE COPOLYMER, MODIFIED CONJUGATED DIENE COPOLYMER PRODUCED BY THE PROCESS, RUBBER COMPOSITION, AND TIRE BRIDGESTONE CORPORATION (JP) 2011-06-30 US disclosed
EP-2277940-A1 PROCESS FOR PRODUCTION OF MODIFIED CONJUGATED DIENE COPOLYMER, MODIFIED CONJUGATED DIENE COPOLYMER PRODUCED BY THE PROCESS, RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2011-01-26 EP disclosed
EP-2236554-A1 TIRE Bridgestone Corporation (JP) 2010-10-06 EP disclosed