Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8947764

CCOC(=O)CCN(C(=O)C(CC(=O)NC[C@H]1CN(C=NN)CCO1)NS(=O)(=O)c1ccccc1C(=O)OC)C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.33
F10 P00742 2/20 0.33
PLG P00747 2/20 0.33
PRSS1 P07477 2/20 0.33
KCNA5 P22460 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8947782 0.92 F2 (0.35) F2KCNA5
Trifluoroacetic Acid SCHEMBL8948194 0.87 F2 (0.46) F2
Hydrochloric Acid SCHEMBL8947651 0.85 F2 (0.44) F2F10PLGPRSS1LMNA
SCHEMBL8947700 0.85 F2 (0.35) F2KCNA5
SCHEMBL7298314 0.82 F2 (0.42) F2PRSS1KCNA5
SCHEMBL8947624 0.81 F2 (0.44) F2
SCHEMBL7394423 0.81 BCHE (0.42) F2PRSS1
Hydrochloric Acid SCHEMBL7391915 0.81 BCHE (0.42) F2PRSS1
SCHEMBL7306645 0.80 F2 (0.41) F2F10PLGPRSS1LMNA
SCHEMBL7308142 0.78 F2 (0.46) F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed