Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL907599

CCCOC[N+]1(C(C)(C)C)CCCC1.O=C([O-])C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.32
CES2 O00748 1/20 0.32

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 SCHEMBL907535 0.88 CCR5 (0.31) CCR5
Trifluoroacetic Acid SCHEMBL907551 0.83 CES2 (0.33) CCR5CES2
Trifluoroacetic Acid SCHEMBL907539 0.82 CHRM2 (0.33) CES2
SCHEMBL3446832 0.81
Nitrous Acid SCHEMBL3448304 0.81
Trifluoroacetic Acid SCHEMBL907645 0.81
Trifluoroacetic Acid SCHEMBL907552 0.81 CES2 (0.31) CES2
Trifluoroacetic Acid SCHEMBL907868 0.79 CES2 (0.30) CES2
Trifluoroacetic Acid SCHEMBL907487 0.78 CES2 (0.36) CCR5CES2
SCHEMBL3447514 0.78

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-7875732-B2 Quaternary ammonium salt, electrolyte, electrolyte, solution and electrochemical device OTSUKA CHEMICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20080050657-A1 N-methoxymethyl-N-methylpyrrolidinium trifluoromethanesulfonate; high solubility in organic solvents, high electroconductivity, voltage resistance; environmentally friendly; use in lithium battery; double layer capacitors STELLA CHEMIFA CORPORATION (JP) 2008-02-28 US disclosed
EP-1837333-A1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE Otsuka Chemical Co., Ltd. (JP) 2007-09-26 EP 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-20080050657-A1 N-methoxymethyl-N-methylpyrrolidinium trifluoromethanesulfonate; high solubility in organic solvents, high electroconductivity, voltage resistance; environmentally friendly; use in lithium battery; double layer capacitors CACNA1F, KCNN2, KCNN3 CCR5 2124/4885CES2 2006/4885

“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.