2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL12501069

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

nearest known ligand 0.91

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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 SCHEMBL4337314 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL27603 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL923497 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL151983 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 SCHEMBL133702 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 SCHEMBL2787776 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303360-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS VERSALIS S.P.A. (IT) 2013-11-14 — — US claimed
EP-2658885-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS versalis S.p.A. (IT) 2013-11-06 — — EP claimed
WO-2012089562-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS POLIMERI EUROPA S.P.A. (IT) 2012-07-05 — — WO claimed
US-9944726-B2 Solid catalyst component, catalyst comprising said solid component, and process for the (co)polymerization of α-olefins VERSALIS S.P.A. (IT) 2018-04-17 — — US disclosed
EP-2658885-B1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS VERSALIS SPA (IT) 2017-06-14 — — EP disclosed
US-9290586-B2 Solid catalyst component, catalyst comprising said solid component, and process for the (CO)polymerization of α-olefins VERSALIS S.P.A. (IT) 2016-03-22 — — US disclosed
US-20160060370-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS VERSALIS S.P.A. (IT) 2016-03-03 — — US disclosed
US-20130303360-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS VERSALIS S.P.A. (IT) 2013-11-14 — — US disclosed
EP-2658885-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS versalis S.p.A. (IT) 2013-11-06 — — EP disclosed
WO-2012089562-A1 SOLID CATALYST COMPONENT, CATALYST COMPRISING SAID SOLID COMPONENT, AND PROCESS FOR THE (CO)POLYMERIZATION OF ALPHA-OLEFINS POLIMERI EUROPA S.P.A. (IT) 2012-07-05 — — WO disclosed
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