Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL907308

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

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BBOX1 O75936 2/20 0.33
KMT2A Q03164 1/20 0.30

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
Bicarbonate SCHEMBL1717764 0.88 LMNA (0.38) LMNAAPOBEC3AAPOBEC3GCYP3A4TSHR
Trifluoroacetic Acid SCHEMBL907551 0.87 CES2 (0.33) LMNAAPOBEC3AAPOBEC3GCYP3A4TSHR
Acetic Acid SCHEMBL1719598 0.86 LMNA (0.37) LMNAAPOBEC3AAPOBEC3GCYP3A4TSHR
Bicarbonate SCHEMBL1717765 0.86 LMNA (0.40) LMNAAPOBEC3AAPOBEC3GCYP3A4TSHR
SCHEMBL1717766 0.83 LMNA (0.38) LMNAAPOBEC3AAPOBEC3GCYP3A4TSHR
Trifluoroacetic Acid SCHEMBL907854 0.83 KDM4E (0.36) LMNAAPOBEC3AAPOBEC3GCYP3A4TSHR
Trifluoroacetic Acid SCHEMBL907242 0.82 CHRM2 (0.32)
Trifluoroacetic Acid SCHEMBL907535 0.82 CCR5 (0.31)
SCHEMBL898889 0.80 KDM4E (0.38) KDM4EBBOX1
Trifluoroacetic Acid SCHEMBL907615 0.80

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 LMNA 1998/4885APOBEC3A 1984/4885APOBEC3G 2321/4885

“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.