Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3901258

C[C@H](N)C(=O)NCCCOc1cccc(C(=N)N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.59
PRSS1 P07477 10/20 0.53
F2 P00734 3/20 0.53
PLG P00747 2/20 0.53
PRSS2 P07478 1/20 0.53
C1S P09871 1/20 0.53
PRSS3 P35030 1/20 0.53
F3 P13726 2/20 0.46
REN P00797 1/20 0.45
PROC P04070 1/20 0.45
KLK1 P06870 1/20 0.45
F7 P08709 1/20 0.45

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
SCHEMBL14132049 0.94 F10 (0.63) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL5096384 0.89 F10 (0.54) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3898068 0.87 F10 (0.59) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3896841 0.85 F10 (0.54) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3899583 0.85 F10 (0.74) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3900211 0.84 F10 (0.80) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3897942 0.83 F10 (0.52) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL5092493 0.83 F10 (0.52) F10PRSS1F2PLGPRSS2
SCHEMBL14132281 0.82 F10 (0.64) F10PRSS1F2PLGPRSS2
SCHEMBL14132265 0.82 F10 (0.57) F10PRSS1F2PLGPRSS2

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