Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7366100

N=C(N)c1ccc(CCC(CC(=O)N2CCCC2)c2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.65
F2 P00734 17/20 0.65
PRSS1 P07477 11/20 0.65

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 SCHEMBL8345837 0.82 F10 (0.86) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7453855 0.81 F10 (0.76) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8347821 0.80 F10 (0.87) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7367577 0.80 F2 (0.75) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7454337 0.80 F10 (0.74) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8351103 0.80 F10 (0.68) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7455024 0.79 F10 (0.73) F10F2PRSS1
Hydrochloric Acid SCHEMBL7361309 0.79 F10 (0.98) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8343408 0.78 F10 (0.89) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451754 0.77 F10 (0.70) F10F2PRSS1

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-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed