2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL1463159

CCCCC(CC)C(=O)O.O=C(Nc1ccc(C(F)(F)F)nc1C1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MCHR1 Q99705 2/20 0.35
ACKR3 P25106 1/20 0.32
IDO1 P14902 1/20 0.32
RORC P51449 2/20 0.32
CCR3 P51677 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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 SCHEMBL1463158 1.00 LMNA (0.37) LMNATSHRMCHR1ACKR3IDO1
SCHEMBL1420945 0.90 MCHR1 (0.40) LMNAMCHR1CCR3PROKR1MEN1
SCHEMBL1420947 0.90 MCHR1 (0.40) LMNAMCHR1CCR3PROKR1MEN1
SCHEMBL83172 0.82 MCHR1 (0.44) LMNAMCHR1CCR3PROKR1EBP
SCHEMBL9884600 0.80 MCHR1 (0.42) LMNAMCHR1CCR3PROKR1EBP
SCHEMBL1420976 0.80 MCHR1 (0.40) LMNAMCHR1CCR3PROKR1KMT2A
SCHEMBL1420974 0.80 MCHR1 (0.40) LMNAMCHR1CCR3PROKR1KMT2A
SCHEMBL1463147 0.79 MCHR1 (0.40) LMNAMCHR1RORCCCR3PROKR1
SCHEMBL1420623 0.79 MCHR1 (0.40) LMNAMCHR1CCR3PROKR1MEN1
SCHEMBL1420624 0.79 MCHR1 (0.40) LMNAMCHR1CCR3PROKR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193362-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-06-05 US disclosed
EP-2297136-B1 INSECTICIDAL PYRIDYLPIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-28 EP disclosed
US-20110071191-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-03-24 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-20110071191-A1 INSECTICIDAL COMPOUNDS CBR3, CBR1, ACHE LMNA 2166/4885TSHR 586/4885MCHR1 351/4885

“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.