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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7463240

COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 18/20 1.00
▸ PRSS1 P07477 18/20 1.00
▸ PRSS2 P07478 17/20 1.00
▸ PRSS3 P35030 17/20 1.00
▸ F10 P00742 4/20 1.00
▸ PLG P00747 2/20 1.00
▸ PLAT P00750 2/20 1.00
▸ F7 P08709 2/20 1.00

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 SCHEMBL7552245 0.97 F2 (1.00) F2PRSS1PRSS2PRSS3F10
SCHEMBL7458848 0.96 F2 (1.00) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454643 0.92 F2 (1.00) F2PRSS1PRSS2PRSS3F10
SCHEMBL7395174 0.89 F2 (0.83) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7457243 0.88 F2 (0.84) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454642 0.88 F2 (0.82) F2PRSS1PRSS2PRSS3F10
SCHEMBL7450967 0.84 F2 (0.81) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463044 0.84 F2 (0.72) F2PRSS1PRSS2PRSS3F10
SCHEMBL5885649 0.83 F2 (0.77) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL5885248 0.82 F2 (0.76) 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