2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL8434861

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.91
▸ MAPK1 P28482 1/20 0.61
▸ CA1 P00915 7/20 0.59
▸ CYP3A4 P08684 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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 SCHEMBL8747843 0.98 CA2 (0.88) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL8747680 0.96 CA2 (0.84) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL2464684 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL4337314 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL8904794 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL23802667 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL2787776 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL21569275 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL20582677 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL268182 0.95 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5973082-A HIGH SOLIDS COATING SHELL OIL COMPANY (US) 1999-10-26 — — US claimed
EP-0692000-B1 EPOXIDIZED VEGETABLE OIL MODIFICATION OF EPOXY ESTERS SHELL INT RESEARCH (NL) 1997-06-25 — — EP claimed
EP-0555589-B1 Vernonia oil modification of epoxy resins SHELL INT RESEARCH (NL) 1997-04-23 — — EP claimed
EP-0692000-A1 EPOXIDIZED VEGETABLE OIL MODIFICATION OF EPOXY ESTERS SHELL INT RESEARCH (NL) 1996-01-17 — — EP claimed
WO-1994022954-A1 EPOXIDIZED VEGETABLE OIL MODIFICATION OF EPOXY ESTERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-10-13 — — WO claimed
EP-0555589-A1 Vernonia oil modification of epoxy resins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-18 — — EP claimed
US-5227453-A Vernonia oil modification of epoxy resins HI-TEK POLYMERS, INC. (US) 1993-07-13 — — US claimed
US-4264335-A Suppressing the octane requirement increase of an automobile engine GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-04-28 — — US claimed
US-12037554-B2 Homogenous catalytic composition for improving LPG combustion HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2024-07-16 — — US disclosed
US-20240110115-A1 HOMOGENOUS CATALYTIC COMPOSITION FOR IMPROVING LPG COMBUSTION HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2024-04-04 — — US disclosed
WO-2024057772-A1 METHOD FOR PRODUCING ORGANICALLY MODIFIED FINE OXIDE PARTICLES, AND ORGANICALLY MODIFIED FINE OXIDE PARTICLES 国立大学法人東北大学 2024-03-21 — — WO disclosed
WO-2023162832-A1 METHOD FOR PRODUCING METAL OXIDE NANO-PARTICLES, AND METAL OXIDE NANO-PARTICLES 株式会社スーパーナノデザイン 2023-08-31 — — WO disclosed
EP-4228811-A1 HOMOGENOUS CATALYTIC COMPOSITION FOR IMPROVING LPG COMBUSTION Hindustan Petroleum Corporation Limited (IN) 2023-08-23 — — EP disclosed
WO-2023126957-A1 HOMOGENOUS CATALYTIC COMPOSITION FOR IMPROVING LPG COMBUSTION HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2023-07-06 — — WO disclosed
EP-0575189-A1 Organic cerium (IV) compounds and their preparation and use RHONE-POULENC CHEMICALS LIMITED (GB) 1993-12-22 — — EP disclosed
EP-0555589-A1 Vernonia oil modification of epoxy resins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-18 — — EP disclosed
US-5227453-A Vernonia oil modification of epoxy resins HI-TEK POLYMERS, INC. (US) 1993-07-13 — — US disclosed
US-5135994-A Dissolving the rare earth carboxylate catalyst in glycidyl neodecanoate solvent in which the epoxy is dispersible and reactive; polyepoxides; shelf life RHONE-POULENC INC. (US) 1992-08-04 — — US disclosed
US-4264335-A Suppressing the octane requirement increase of an automobile engine GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-04-28 — — US disclosed
US-4264335-A Suppressing the octane requirement increase of an automobile engine GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-04-28 — — US disclosed
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