Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6167997

CC1=C(N)C(=NO)CC=C1C[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc(-c2ccccc2S(C)(=O)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.37
PRSS1 P07477 10/20 0.37
PRSS2 P07478 9/20 0.37
PRSS3 P35030 9/20 0.37
TMPRSS6 Q8IU80 4/20 0.35
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
F10 P00742 2/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
F7 P08709 1/20 0.33
PTPN1 P18031 2/20 0.32

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 SCHEMBL6170016 0.81 OPRK1 (0.36) F2PRSS1PRSS2PRSS3TMPRSS6
Trifluoroacetic Acid SCHEMBL6174578 0.78 F10 (0.36) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6166157 0.77 F10 (0.36) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7104693 0.77 F10 (0.35) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7107504 0.74 F2 (0.36) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6163530 0.73 F10 (0.40) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6166299 0.72 F10 (0.39) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6172901 0.71 PTPN1 (0.42) PTPN1
SCHEMBL13073722 0.68 KMT2A (0.53) PTPN1
Trifluoroacetic Acid SCHEMBL7101266 0.68 F10 (0.51) F2PRSS1PRSS2PRSS3F10

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed