Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3910259

N=C(N)c1ccc(C(=O)NCCOc2cc(C(=N)N)ccc2I)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.62
F2 P00734 5/20 0.62
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
KLK1 P06870 2/20 0.43
PLG P00747 1/20 0.43
PROC P04070 1/20 0.43
PRSS1 P07477 1/20 0.43
RAB9A P51151 3/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.41
HSP90AA1 P07900 1/20 0.41
KLK5 Q9Y337 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40

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 SCHEMBL3902510 0.87 F10 (0.62) F10F2KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3895029 0.81 F10 (0.86) F10F2KLK1PLGPROC
SCHEMBL14131854 0.79 F10 (0.66) F10F2KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3900211 0.78 F10 (0.80) F10F2KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3898594 0.78 F10 (0.64) F10F2KMT2ATMPRSS6HPGD
Trifluoroacetic Acid SCHEMBL3903060 0.77 F10 (0.79) F10F2KLK1PLGPROC
SCHEMBL14132315 0.76 F10 (1.00) F10F2KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3903054 0.76 F10 (0.77) F10F2KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3911547 0.76 F10 (0.77) F10F2KLK1PLGPROC
Trifluoroacetic Acid SCHEMBL3911481 0.76 F10 (0.81) F10F2KLK1PLGPROC

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed