Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21964007

CCNC(=O)c1cc[n+](CC(NC(=O)OC(C)(C)C)C(=O)O)nc1.O=C([O-])C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.38
PPARG P37231 9/20 0.38
PPARD Q03181 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ACE P12821 1/20 0.35
CTSS P25774 5/20 0.35
CTSK P43235 5/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
IDO1 P14902 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL21964005 1.00 PPARA (0.38) PPARAPPARGPPARDITGB3ITGA2B
SCHEMBL28623441 0.89 PPARA (0.35) PPARAPPARGPPARDACECTSS
SCHEMBL28623435 0.89 PPARA (0.35) PPARAPPARGPPARDACECTSS
SCHEMBL21964006 0.86 PPARA (0.34) PPARAPPARGPPARDITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL21964012 0.82 HDAC4 (0.32) PPARAPPARGITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL21964011 0.77 HDAC4 (0.34) PPARAPPARGITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL28636927 0.76 GABRA5 (0.33)
SCHEMBL24418771 0.75 PPARA (0.42) PPARAPPARGPPARDITGB3ITGA2B
SCHEMBL28383141 0.75 PPARA (0.42) PPARAPPARGPPARDITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL28636930 0.71 GABRA5 (0.33) PPARAPPARGITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403435-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-30 US disclosed
EP-3879983-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-09-22 EP disclosed
CN-113329629-A Herbicidal compounds 先正达农作物保护股份公司 2021-08-31 CN disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO 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-20210403435-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 PPARA 764/4885PPARG 318/4885PPARD 638/4885

“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.