Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7463140

COC(=O)CN(CCc1ccc(N)cc1)c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.72
▸ PRSS1 P07477 18/20 0.72
▸ PRSS2 P07478 15/20 0.72
▸ PRSS3 P35030 15/20 0.72
▸ F10 P00742 5/20 0.67
▸ PLG P00747 2/20 0.67
▸ PLAT P00750 2/20 0.67
▸ F7 P08709 2/20 0.67

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 SCHEMBL7463044 0.96 F2 (0.72) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454428 0.94 F2 (0.74) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365871 0.94 F2 (0.69) F2PRSS1PRSS2PRSS3F10
SCHEMBL7361079 0.91 F2 (0.69) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454841 0.91 F2 (0.60) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454693 0.90 F2 (0.69) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7361315 0.88 F2 (0.61) F2PRSS1PRSS2PRSS3F10
SCHEMBL7360126 0.88 F2 (0.71) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365373 0.88 F2 (0.71) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454966 0.85 F2 (0.59) 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