Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7219936

Nc1nccc2ccc(C[C@]3(NS(=O)(=O)c4ccc(-c5ccncc5)s4)CCNC3=O)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.33
F2 P00734 1/20 0.33
KLKB1 P03952 1/20 0.31
F9 P00740 5/20 0.31
MMP13 P45452 1/20 0.31
ADAMTS5 Q9UNA0 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
Trifluoroacetic Acid SCHEMBL7545869 0.83 F10 (0.51) F10F2KLKB1F9
Trifluoroacetic Acid SCHEMBL7219938 0.76 F10 (0.62) F10F2
Trifluoroacetic Acid SCHEMBL7384787 0.74 NOS1 (0.36) F10MMP13
Trifluoroacetic Acid SCHEMBL7384081 0.73 F10 (0.36) F10
Trifluoroacetic Acid SCHEMBL7376557 0.72 MMP13 (0.33) F10F2MMP13ADAMTS5
SCHEMBL7420810 0.69 F2 (0.33) F10F2MMP13ADAMTS5
Trifluoroacetic Acid SCHEMBL7424271 0.69 F10 (0.49) F10F2
Trifluoroacetic Acid SCHEMBL7213571 0.69 F10 (0.64) F10F2F9
Trifluoroacetic Acid SCHEMBL7376799 0.68 F10 (0.34) F10F2ADAMTS5
Trifluoroacetic Acid SCHEMBL7374889 0.67 NOS1 (0.46) F10F2

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
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed