Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7897485

N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3cc[n+]([O-])cc3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.70
PLG P00747 1/20 0.62
PROC P04070 1/20 0.62
PRSS1 P07477 7/20 0.62
F2 P00734 3/20 0.41
TMPRSS2 O15393 1/20 0.40
RAD52 P43351 1/20 0.40
UBE2N P61088 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MLYCD O95822 1/20 0.39
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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 SCHEMBL6638539 0.84 F10 (0.68) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6638375 0.84 F10 (0.88) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6641128 0.83 F10 (0.67) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6642992 0.81 F10 (0.64) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6664969 0.80 F10 (0.88) F10PLGPROCPRSS1F2
Trifluoroacetic Acid SCHEMBL6644219 0.80 F10 (0.88) F10PLGPROCPRSS1RAD52
Trifluoroacetic Acid SCHEMBL7900413 0.79 F10 (0.71) F10PRSS1F2TMPRSS2KLK1
Trifluoroacetic Acid SCHEMBL6644883 0.78 F10 (0.59) F10PLGPROCPRSS1MLYCD
SCHEMBL6643844 0.78 F10 (0.66) F10PLGPROCPRSS1
SCHEMBL14509265 0.77 F10 (1.00) F10PLGPROCPRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US claimed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US disclosed