Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3901693

Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCOc3cccc(C(=N)N)c3)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.51
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
BCL2 P10415 1/20 0.40
F10 P00742 2/20 0.38
F2 P00734 9/20 0.38
TMPRSS6 Q8IU80 5/20 0.38
PTPN1 P18031 2/20 0.37
PTPN22 Q9Y2R2 1/20 0.37

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 SCHEMBL3897929 0.81 F10 (0.44) F10F2TMPRSS6PTPN1PTPN22
SCHEMBL14132055 0.78 F10 (0.45) F10PTPN1PTPN22
SCHEMBL3912355 0.76 KLK7 (0.61) KLK7TLR2TLR1BCL2PTPN1
SCHEMBL29401167 0.76 KLK7 (0.61) KLK7TLR2TLR1BCL2PTPN1
Trifluoroacetic Acid SCHEMBL3901330 0.71 F10 (0.52) F10F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3909089 0.71 F10 (0.52) F10F2TMPRSS6
Trifluoroacetic Acid SCHEMBL3901258 0.70 F10 (0.59) F10F2
Trifluoroacetic Acid SCHEMBL3900546 0.70 F10 (0.45) F10F2TMPRSS6
SCHEMBL29398857 0.70 KLK7 (0.53) KLK7TLR2TLR1BCL2
SCHEMBL7441367 0.69 KLK7 (0.53) KLK7TLR2TLR1

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