Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7459292

COC(=O)CCCN(CCc1ccc(C=NN)cc1)c1cccc(C=NN)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.44
PRSS1 P07477 13/20 0.44
PRSS2 P07478 13/20 0.44
PRSS3 P35030 13/20 0.44
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 2/20 0.43
F7 P08709 2/20 0.43
HTR5A P47898 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 1/20 0.34

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 SCHEMBL7454448 0.95 F2 (0.43) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7458550 0.91 F2 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL7360778 0.85 SMN1; SMN2 (0.41) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7364865 0.79 SMN1; SMN2 (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
Trifluoroacetic Acid SCHEMBL7459282 0.77 F2 (0.62) F2PRSS1PRSS2PRSS3F10
SCHEMBL7368633 0.77 NR1H4 (0.41)
Hydrochloric Acid SCHEMBL7463042 0.77 F2 (0.38) F2PRSS1PRSS2PRSS3ALDH1A1
Trifluoroacetic Acid SCHEMBL7454841 0.76 F2 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL7368094 0.74 CA1 (0.38) ALDH1A1
Trifluoroacetic Acid SCHEMBL7458548 0.74 F2 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed