Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7150647

COc1cc(C(=O)O)c(-c2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc2Oc2ccc3cc(C#N)ccc3c2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 14/20 0.44
SLC22A12 Q96S37 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 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 SCHEMBL7155223 0.90 PLA2G7 (0.43) PLA2G7SLC22A12LMNAKMT2AMEN1
Trifluoroacetic Acid SCHEMBL7150670 0.87 PLA2G7 (0.41) PLA2G7SLC22A12
Trifluoroacetic Acid SCHEMBL7155334 0.86 PLA2G7 (0.40) PLA2G7SLC22A12KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7153144 0.86 BRD4 (0.43) PLA2G7
Trifluoroacetic Acid SCHEMBL7157237 0.80 PLA2G7 (0.39) PLA2G7SLC22A12KMT2AMEN1
Trifluoroacetic Acid SCHEMBL6300629 0.78 PLA2G7 (0.44) PLA2G7ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6295012 0.77 PLA2G7 (0.41) PLA2G7POLB
SCHEMBL6300729 0.75 SLC22A12 (0.43) PLA2G7SLC22A12
Trifluoroacetic Acid SCHEMBL6300704 0.75 PLA2G7 (0.47) PLA2G7ALDH1A1KMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL6295008 0.74 PLA2G7 (0.46) PLA2G7ALDH1A1KMT2AMEN1

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
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed