Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3401451

CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccc(N3CCCC3=O)c2Cl)C(N)=O)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.60
F10 P00742 13/20 0.60
F9 P00740 2/20 0.52
PLG P00747 2/20 0.52
PLAT P00750 2/20 0.52
KLKB1 P03952 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.35
MOGAT2 Q3SYC2 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
SCHEMBL12095849 0.92 F2 (0.60) F2F10F9PLGPLAT
Trifluoroacetic Acid SCHEMBL3408589 0.89 F2 (0.48) F2F10F9PLGPLAT
SCHEMBL12095910 0.86 F2 (0.51) F2F10F9PLGPLAT
Trifluoroacetic Acid SCHEMBL3403811 0.85 F2 (0.61) F2F10F9PLGPLAT
SCHEMBL3401711 0.85 F2 (0.51) F2F10F9PLGPLAT
SCHEMBL3407585 0.84 F2 (0.61) F2F10F9PLGPLAT
SCHEMBL12096009 0.84 F2 (0.54) F2F10F9PLGPLAT
Hydrochloric Acid SCHEMBL3401696 0.84 F2 (0.62) F2F10F9PLGPLAT
SCHEMBL3404400 0.84 F2 (0.51) F2F10F9PLGPLAT
SCHEMBL12095845 0.83 F2 (0.51) F2F10F9PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378092-B2 Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin SANOFI (FR) 2013-02-19 US disclosed
EP-2254881-B1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI SA (FR) 2012-09-12 EP disclosed
EP-2254881-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009103440-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2009-08-27 WO disclosed