2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL11502267

C1CCC(NC2CCCCC2)CC1.CCCCC(CC)C(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA1 P00915 4/20 0.45
▸ SIGMAR1 Q99720 1/20 0.43
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ EPHX1 P07099 7/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 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 SCHEMBL27457269 0.83 CA2 (0.83) CA2MAPK1SMN1; SMN2CA1SLC1A3
2-Ethylhexanoic Acid SCHEMBL9763737 0.83 CA2 (0.83) CA2MAPK1SMN1; SMN2CA1SLC1A3
2-Ethylhexanoic Acid SCHEMBL11651727 0.83 CA2 (0.65) CA2MAPK1SMN1; SMN2CA1SLC1A3
2-Ethylhexanoic Acid SCHEMBL9439018 0.83 CA2 (0.65) CA2MAPK1SMN1; SMN2CA1SLC1A3
SCHEMBL14384711 0.82 CA2 (0.59) CA2MAPK1SMN1; SMN2CA1SLC1A3
Norleucine SCHEMBL14935842 0.81 METAP1 (0.51) SMN1; SMN2SIGMAR1SLC1A3SLC1A2SLC1A1
Norleucine SCHEMBL29557418 0.81 METAP1 (0.51) SMN1; SMN2SIGMAR1SLC1A3SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5372716 0.81 CA2 (0.62) CA2MAPK1SMN1; SMN2CA1SLC1A3
2-Ethylhexanoic Acid SCHEMBL2732680 0.81 CA2 (0.95) CA2MAPK1SMN1; SMN2CA1SLC1A3
2-Ethylhexanoic Acid SCHEMBL11328410 0.80 CA2 (0.61) CA2MAPK1SMN1; SMN2CA1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110760117-A Gas-phase anti-rust film and preparation method thereof 上海洁乐特防锈包装技术有限公司 2020-02-07 — — CN claimed
JP-54155049-A — — None — — JP disclosed
CN-117178077-A One-step pretreatment method of metal substrate for metal cold forming at non-neutral pH value 凯密特尔有限责任公司 2023-12-05 — — CN disclosed
CN-113684472-B Surface treatment method for iron crucible for alkali fusion 广东韶钢松山股份有限公司 2023-08-01 — — CN disclosed
CN-112064003-B Pretreatment agent and preparation method and application thereof 华帝股份有限公司 2022-06-17 — — CN disclosed
CN-112064003-A Pretreatment agent and preparation method and application thereof 华帝股份有限公司 2020-12-11 — — CN disclosed
CN-111070655-A Preparation process of novel long-acting gas-phase anti-rust film 南通永余防锈材料有限公司 2020-04-28 — — CN disclosed
CN-110760117-A Gas-phase anti-rust film and preparation method thereof 上海洁乐特防锈包装技术有限公司 2020-02-07 — — CN disclosed
CN-110643408-A Antirust grease 广州凌玮科技股份有限公司 2020-01-03 — — CN disclosed
JP-S54155049-A COATING CARRIER FOR DEVELOPING ELECTROSTATIC IMAGE AND METHOD OF MANUFACTURING THE SAME KONISHIROKU PHOTO IND CO LTD 1979-12-06 — — JP disclosed
US-4101328-A ZINC-SURFACED STEEL SUBSTRATE, PH ADJUSTING AMINE A. F. INDUSTRIES, INC. (US) 1978-07-18 — — US disclosed
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