Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4244879

CCN(CC)CCCNc1nnc(-c2ccc(NC(=O)c3cccc(OC)c3)cc2OC)o1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.51
KCNH2 Q12809 7/20 0.51
CHRNA1 P02708 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 5/20 0.45
ADCY1 Q08828 1/20 0.45
MCHR1 Q99705 2/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13878581 0.94 CHRNA7 (0.53) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4241833 0.94 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4238119 0.93 CHRNA7 (0.49) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4246245 0.90 CHRNA7 (0.55) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4249882 0.90 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4247354 0.90 CHRNA7 (0.62) CHRNA7KCNH2CYP3A4HSD17B10ALOX15
SCHEMBL4239431 0.90 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4243450 0.89 CHRNA7 (0.55) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4242049 0.88 CHRNA7 (0.54) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4247681 0.88 CHRNA7 (0.48) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885KCNH2 815/4885CHRNA1 7/4885

“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.