Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL242689

COc1ccc([I+]c2ccc(OC)cc2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
EDNRA P25101 1/20 0.41
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
HSD11B1 P28845 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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 SCHEMBL761109 0.94 EDNRA (0.47) CA1CA2CES2CES1EDNRA
Trifluoroacetic Acid SCHEMBL1834215 0.85 KMT2A (0.46) RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL318069 0.80 CA1 (0.38) CA1CA2
Toliodium SCHEMBL10907987 0.79 CA2 (0.40) CA1CA2CES2CES1CA9
Trifluoroacetic Acid SCHEMBL10492085 0.79 HDAC1 (0.46) PDK1PDK2PDK3PDK4PARP10
Acetic Acid SCHEMBL9794942 0.79 CES2 (0.50) CA1CA2CES2CES1TAS1R3
Trifluoromethanesulfonic Acid SCHEMBL1592826 0.79 PKM (0.47) CA1CA2HSD11B1CA12CA7
SCHEMBL144129 0.78 CA1 (0.65) CA1CA2CES2CES1CA12
Trifluoroacetic Acid SCHEMBL10584037 0.77 LTA4H (0.44) PARP10NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3167314 0.77 NQO2 (0.40) EDNRARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284736-B1 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2021-03-03 EP disclosed
EP-3284736-A1 FLUORINATION OF AROMATIC RING SYSTEMS NUtech Ventures (US) 2018-02-21 EP disclosed
EP-2537826-B1 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2017-03-08 EP disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
EP-2726446-A2 FLUORINATION OF AROMATIC RING SYSTEMS Nutech Ventures (US) 2014-05-07 EP disclosed
US-8604213-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2013-12-10 US disclosed
US-8377704-B2 Detection and quantification of anions NUTECH VENTURES (US) 2013-02-19 US disclosed
WO-2013003734-A2 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2013-01-03 WO disclosed
EP-2537826-A1 Fluorination of aromatic ring systems Nutech Ventures (US) 2012-12-26 EP disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
EP-2349977-A2 FLUORINATION OF AROMATIC RING SYSTEMS The Board of Regents of the University of Nebraska (US) 2011-08-03 EP disclosed
US-20110091982-A1 Detection and Quantification of Anions NUTECH VENTURES 2011-04-21 US disclosed
WO-2010048170-A2 FLUORINATION OF AROMATIC RING SYSTEMS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2010-04-29 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 (2 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC CA1 3898/4885CA2 3635/4885CES2 1207/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC CA1 3898/4885CA2 3635/4885CES2 1207/4885

“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.