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Sugi Predict / Compounds / 2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL6565519

CCCCC(CC)C(=O)[O-].O=C([O-])c1ccccc1Cl.[Ni+2]

nearest known ligand 0.55

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.55
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37

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 SCHEMBL6565521 0.91 CA2 (0.53) CA2HPGDALDH1A1MAPK1MEN1
SCHEMBL9158608 0.84 HPGD (0.51) CA2HPGDALDH1A1MAPK1SMN1; SMN2
Butyltriphenylphosphonium SCHEMBL9158644 0.82 HPGD (0.47) CA2HPGDALDH1A1MAPK1MEN1
2-Ethylhexanoic Acid SCHEMBL8748027 0.81 CA2 (0.55) CA2ALDH1A1MAPK1MEN1MAPT
2-Ethylhexanoic Acid SCHEMBL19025011 0.79 CA2 (0.64) CA2ALDH1A1MAPK1MEN1MAPT
2-Ethylhexanoic Acid SCHEMBL8747705 0.77 CA2 (0.62) CA2ALDH1A1MAPK1MEN1MAPT
2-Ethylhexanoic Acid SCHEMBL11415998 0.77 CA2 (0.91) CA2MAPK1CYP3A4TSHRCA1
2-Ethylhexanoic Acid SCHEMBL1045712 0.77 CA2 (0.91) CA2MAPK1CYP3A4TSHRCA1
2-Ethylhexanoic Acid SCHEMBL6307566 0.77 CA2 (0.91) CA2MAPK1CYP3A4TSHRCA1
2-Ethylhexanoic Acid SCHEMBL305226 0.77 CA2 (0.91) CA2MAPK1CYP3A4TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196624-A Dimerization catalyst, nickel compound, alkylaluminum halide, phosphine compound CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1993-03-23 — — US claimed
US-5196625-A Dimerization CHEVRON RESEARCH & TECHNOLOGY COMPANY (US) 1993-03-23 — — US claimed
EP-0958267-B1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INT RESEARCH (NL) 2004-03-31 — — EP disclosed
US-6222077-B1 Dimerized alcohol compositions and biodegradible surfactants made therefrom having cold water detergency SHELL OIL COMPANY 2001-04-24 — — US disclosed
EP-0958267-A1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1999-11-24 — — EP disclosed
US-5780694-A DIMERIZING AN OLEFIN FEED OF C6-C20 OLEFINS IN THE PRESENCE OF A HOMOGENEOUS CATALYST FOLLOWED BY HYDROFORMYLATION TO OBTAIN BRANCHED ALCOHOLS AS INTERMEDIATES FOR ANIONIC SULFATE AND NONIONIC SURFACTANTS SHELL OIL COMPANY (US) 1998-07-14 — — US disclosed
WO-1998023566-A1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1998-06-04 — — WO disclosed
US-5196625-A Dimerization CHEVRON RESEARCH & TECHNOLOGY COMPANY (US) 1993-03-23 — — US disclosed
US-5196624-A Dimerization catalyst, nickel compound, alkylaluminum halide, phosphine compound CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1993-03-23 — — US disclosed
US-4959491-A PROPYLENE DIMERIZATION CATALYSTS CHEVRON RESEARCH COMPANY (US) 1990-09-25 — — US disclosed