Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7992672

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCc3nn(CC(=O)O)cc3C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.75
ITGA2B P08514 9/20 0.75
KMT2A Q03164 1/20 0.44
HCRTR2 O43614 5/20 0.40
HCRTR1 O43613 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
F10 P00742 2/20 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 SCHEMBL8131615 0.93 ITGB3 (0.76) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7975218 0.93 ITGB3 (0.76) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7989027 0.91 ITGB3 (0.72) ITGB3ITGA2BKMT2AHCRTR2
Trifluoroacetic Acid SCHEMBL7988698 0.90 ITGB3 (0.93) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7975364 0.89 ITGB3 (0.81) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL8137931 0.88 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7986470 0.88 ITGB3 (0.68) ITGB3ITGA2BKMT2AHCRTR2F10
Trifluoroacetic Acid SCHEMBL7986432 0.86 ITGB3 (0.65) ITGB3ITGA2BKMT2AHTTGAA
SCHEMBL7989263 0.86 ITGB3 (1.00) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7988614 0.84 ITGB3 (0.73) ITGB3ITGA2BKMT2AHCRTR2HCRTR1

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