Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3901686

CC(=N)N1CCC(=Cc2ccc(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 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.63
PLG P00747 1/20 0.47
PROC P04070 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
F2 P00734 4/20 0.47
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
F3 P13726 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 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
SCHEMBL14132170 0.95 F10 (0.69) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3904572 0.87 F10 (0.62) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3903303 0.87 F10 (0.75) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3910305 0.83 F10 (0.90) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3906971 0.82 F10 (0.70) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3905810 0.82 F10 (0.63) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3907498 0.82 F10 (0.76) F10PLGPROCKLK1PRSS1
Trifluoroacetic Acid SCHEMBL3895029 0.82 F10 (0.86) F10PLGPROCKLK1PRSS1
SCHEMBL14131779 0.81 F10 (0.69) F10PLGPROCKLK1PRSS1
SCHEMBL14132286 0.81 F10 (0.83) F10PLGPROCKLK1PRSS1

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