2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL17453704

CCCCC(CC)C(=O)[O-].CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.75
▸ DNM1 Q05193 2/20 0.56
▸ MAPK1 P28482 1/20 0.52
▸ CA1 P00915 6/20 0.50
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ GPR84 Q9NQS5 1/20 0.40

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 SCHEMBL31730242 1.00 CA2 (0.75) CA2DNM1MAPK1CA1CYP3A4
2-Ethylhexanoic Acid SCHEMBL230713 0.94 CA2 (0.84) CA2DNM1MAPK1CA1CYP3A4
SCHEMBL17839033 0.92 CA2 (0.62) CA2DNM1MAPK1CA1CYP3A4
2-Ethylhexanoic Acid SCHEMBL3649881 0.88 CA2 (0.96) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL594231 0.88 CA2 (0.88) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL25406432 0.87 CA2 (0.72) CA2DNM1MAPK1CA1CYP3A4
SCHEMBL5057190 0.86 CA2 (0.77) CA2MAPK1CA1CYP3A4TSHR
Lithium Ion SCHEMBL22772374 0.86 CA2 (0.77) CA2MAPK1CA1CYP3A4TSHR
SCHEMBL22772366 0.86 CA2 (0.77) CA2MAPK1CA1CYP3A4TSHR
SCHEMBL22772375 0.86 CA2 (0.77) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555209-B1 BIODEGRADABLE AND BIOSOURCED POLYMERIC MATERIAL INST NAT SCIENCES APPLIQUEES LYON (FR) 2022-09-07 — — EP claimed
EP-3555209-A1 BIODEGRADABLE AND BIOSOURCED POLYMERIC MATERIAL Institut National Des Sciences Appliquées De Lyon (FR) 2019-10-23 — — EP claimed
WO-2018108881-A1 BIODEGRADABLE AND BIOSOURCED POLYMERIC MATERIAL INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE LYON (FR) 2018-06-21 — — WO claimed
US-11939521-B2 Reuse of hypersaline brine with ionic liquids SAUDI ARABIAN OIL COMPANY (SA) 2024-03-26 — — US disclosed
US-20240059958-A1 REUSE OF HYPERSALINE BRINE WITH IONIC LIQUIDS SAUDI ARABIAN OIL COMPANY (SA) 2024-02-22 — — US disclosed
WO-2024039814-A1 REUSE OF HYPERSALINE BRINE WITH IONIC LIQUIDS SAUDI ARABIAN OIL COMPANY (SA) 2024-02-22 — — WO disclosed
EP-3555209-B1 BIODEGRADABLE AND BIOSOURCED POLYMERIC MATERIAL INST NAT SCIENCES APPLIQUEES LYON (FR) 2022-09-07 — — EP disclosed
EP-3233872-B1 QUATERNARY CARBOXYLATE COMPOSITIONS FOR EXTRACTING C1 TO C4 CARBOXYLIC ACIDS FROM AQUEOUS STREAMS EASTMAN CHEM CO (US) 2019-10-30 — — EP disclosed
EP-3555209-A1 BIODEGRADABLE AND BIOSOURCED POLYMERIC MATERIAL Institut National Des Sciences Appliquées De Lyon (FR) 2019-10-23 — — EP disclosed
EP-3371254-A1 METHOD FOR PREPARATION OF POLYMERIC MATERIALS Ustav Makromolekularni Chemie AV CR, v.v.i. (CZ) 2018-09-12 — — EP disclosed
WO-2018108881-A1 BIODEGRADABLE AND BIOSOURCED POLYMERIC MATERIAL INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE LYON (FR) 2018-06-21 — — WO disclosed
WO-2017076379-A1 METHOD FOR PREPARATION OF POLYMERIC MATERIALS USTAV MAKROMOLEKULARNI CHEMIE AV CR, V.V.I. (CZ) 2017-05-11 — — WO disclosed
US-20160175737-A1 Quaternary Carboxylate Compositions for Extracting C1 to C4 Carboxylic Acids from Aqueous Streams EASTMAN CHEMICAL COMPANY (US) 2016-06-23 — — US disclosed
US-20160024421-A1 IONIC LIQUIDS CONTAINING QUATERNARY PHOSPHONIUM CATIONS AND CARBOXYLATE ANIONS, AND THEIR USE AS LUBRICANT ADDITIVES U.S. DEPARTMENT OF ENERGY 2016-01-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160175737-A1 Quaternary Carboxylate Compositions for Extracting C1 to C4 Carboxylic Acids from Aqueous Streams SLC16A3, CA4, SLC16A1 CA2 21/4885DNM1 455/4885MAPK1 2775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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