Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6132991

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(N5CCC(N6CC(C)OC(C)C6)CC5)cc4)sc3n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 8/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
F10 P00742 1/20 0.37
JAK1 P23458 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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 SCHEMBL6132355 0.88 MAPT (0.38) ALDH1A1MAPTGAADPP4DPP7
Trifluoroacetic Acid SCHEMBL7320929 0.87 ALDH1A1 (0.42) ALDH1A1MAPTGAADPP4DPP7
Trifluoroacetic Acid SCHEMBL7323148 0.86 LMNA (0.48) ALDH1A1MAPTL3MBTL1LMNAMEN1
SCHEMBL6132723 0.86 TP53 (0.43) MAPTGAAJAK1LMNAKMT2A
Trifluoroacetic Acid SCHEMBL7317609 0.85 TP53 (0.41) ALDH1A1MAPTLMNATP53CA12
Trifluoroacetic Acid SCHEMBL7325659 0.85 SIRT2 (0.46) ALDH1A1MAPTGAAL3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL7324043 0.84 MTOR (0.42) MAPTL3MBTL1LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6132999 0.84 SIRT2 (0.40) MAPTGAADPP4DPP7LMNA
Trifluoroacetic Acid SCHEMBL7320760 0.81 ALDH1A1 (0.44) ALDH1A1MAPTGAAL3MBTL1DPP4
Trifluoroacetic Acid SCHEMBL7320765 0.81 ALDH1A1 (0.44) ALDH1A1MAPTGAAL3MBTL1DPP4

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed