Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3905810

CC(=N)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCOc3cccc(C(=N)N)c3)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.63
PLG P00747 3/20 0.51
PRSS1 P07477 2/20 0.51
PROC P04070 1/20 0.51
KLK1 P06870 1/20 0.51
F2 P00734 3/20 0.48
USP5 P45974 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL14132178 0.95 F10 (0.69) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3899429 0.89 F10 (0.60) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3903303 0.88 F10 (0.75) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3906971 0.84 F10 (0.70) F10PLGPRSS1PROCKLK1
SCHEMBL14131777 0.83 F10 (0.66) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3910305 0.83 F10 (0.90) F10PLGPRSS1PROCKLK1
SCHEMBL14132286 0.83 F10 (0.83) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3901686 0.82 F10 (0.63) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3907498 0.82 F10 (0.76) F10PLGPRSS1PROCKLK1
Trifluoroacetic Acid SCHEMBL3895029 0.82 F10 (0.86) F10PLGPRSS1PROCKLK1

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