2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL3476744

CCCCC(CC)C(=O)[O-].CC[N+](CC)(CC)CC

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.78
MAPK1 P28482 2/20 0.53
CA1 P00915 7/20 0.52
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
2-Ethylhexanoic Acid SCHEMBL25233968 0.91 CA2 (0.70) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL2338859 0.89 CA2 (0.78) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL556997 0.88 CA2 (0.84) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL6313729 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL6130019 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL170609 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL8577270 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL20582677 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL21569275 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL23802667 0.88 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691440-A Catalyst and process for producing isocyanate trimers ARCO CHEMICAL TECHNONOGY, L.P. (US) 1997-11-25 US claimed
US-20230330624-A1 USE OF CARBOXYLATE COMPOUND AS ABSORBENT FOR CAPTURING CARBON DIOXIDE BEIJING YUTAN TECHNOLOGY CO., LTD (CN) 2023-10-19 US disclosed
WO-2023188952-A1 HEAT-DISSIPATING RUBBER COMPOSITION, THERMALLY CONDUCTIVE RUBBER COMPOSITION, HEAT-DISSIPATING MATERIAL, AND CURED PRODUCT 日清紡ホールディングス株式会社 2023-10-05 WO disclosed
EP-3820876-B1 PREPARATION OF ISOCYANATOSILANES MOMENTIVE PERFORMANCE MAT INC (US) 2023-09-06 EP disclosed
EP-4201514-A1 USE OF CARBOXYLATE COMPOUND AS ABSORBENT FOR CAPTURING CARBON DIOXIDE Beijing Yutan Technology Co., Ltd (CN) 2023-06-28 EP disclosed
US-11655263-B2 Preparation of isocyanatosilanes MOMENTIVE PERFORMANCE MATERIALS INC (US) 2023-05-23 US disclosed
WO-2022111026-A1 USE OF CARBOXYLATE COMPOUND AS ABSORBENT FOR CAPTURING CARBON DIOXIDE 北京驭碳科技有限公司 2022-06-02 WO disclosed
US-11225548-B2 Resin composition, heat-conductive flexible sheet using same, and heat dissipation structure NISSHINBO HOLDINGS INC. (JP) 2022-01-18 US disclosed
US-20210277035-A1 PREPARATION OF ISOCYANATOSILANES MOMENTIVE PERFORMANCE MATERIALS INC. 2021-09-09 US disclosed
EP-3514188-B1 RESIN COMPOSITION, HEAT-CONDUCTIVE FLEXIBLE SHEET USING SAME, AND HEAT DISSIPATION STRUCTURE NISSHINBO HOLDINGS INC (JP) 2021-08-18 EP disclosed
EP-0827973-B1 Pigment preparations for ink-jet printing BAYER CHEMICALS AG (DE) 2004-12-22 EP disclosed
EP-0826753-B1 New dispersion aid for aqueous lacquers BAYER AG (DE) 2003-12-17 EP disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-5969002-A CONTAINING WATER SOLUBLE POLYISOCYANATE ADDITION PRODUCT BAYER AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5910556-A TRIMERIZING A POLYISOCYANATE WITH MONOHYDRIC POLYETHER CONTAINING ETHYLENE OXIDE UNITS. BAYER AKTIENGESELLSCHAFT (DE) 1999-06-08 US disclosed
US-5889065-A MACROMOLECULE IN POLYURETHANE BINDER BAYER AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
EP-0829496-A1 Pigment preparations BAYER AG (DE) 1998-03-18 EP disclosed
EP-0827973-A1 Pigment preparations for ink-jet printing BAYER AG (DE) 1998-03-11 EP disclosed
EP-0826753-A1 New dispersion aid for aqueous lacquers BAYER AG (DE) 1998-03-04 EP disclosed
US-5691440-A Catalyst and process for producing isocyanate trimers ARCO CHEMICAL TECHNONOGY, L.P. (US) 1997-11-25 US disclosed