Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6161633

CCOC(=O)c1c(Cc2cccc(C(=N)N)c2)c[nH]c1Cc1cccc(Oc2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
F2 P00734 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
F3 P13726 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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 SCHEMBL6163059 0.96 SMN1; SMN2 (0.47) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6166475 0.93 SMN1; SMN2 (0.53) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6161730 0.93 MAPT (0.49) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6168271 0.90 SMN1; SMN2 (0.46) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6162234 0.90 SMN1; SMN2 (0.48) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6163464 0.88 SMN1; SMN2 (0.47) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6165952 0.87 SMN1; SMN2 (0.46) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6166105 0.87 SMN1; SMN2 (0.46) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6163644 0.85 SMN1; SMN2 (0.44) F10F2SMN1; SMN2MAPTMAPK1
Trifluoroacetic Acid SCHEMBL6166062 0.85 SMN1; SMN2 (0.44) F10F2SMN1; SMN2MAPTMAPK1

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