Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7989116

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(=N)N)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
HCRTR2 O43614 5/20 0.42
HCRTR1 O43613 3/20 0.40
KMT2A Q03164 2/20 0.40
ADORA1 P30542 1/20 0.39
PLG P00747 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
F10 P00742 2/20 0.36
HPN P05981 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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 SCHEMBL8133864 0.94 ITGB3 (0.55) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7974814 0.92 ITGB3 (0.48) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7988424 0.90 ITGB3 (0.57) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Hydrochloric Acid SCHEMBL7986317 0.89 ITGB3 (0.56) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7986775 0.89 ITGB3 (0.46) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7975354 0.88 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7986493 0.88 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7975791 0.88 ITGB3 (0.49) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL8123335 0.87 ITGB3 (0.47) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7989225 0.87 ITGB3 (0.48) ITGB3ITGA2BHCRTR2HCRTR1KMT2A

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed