Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7985418

CCCCS(=O)(=O)Nc1ccc(C[C@H](NC(=O)c2ccc(C(=N)N)cc2)C(=O)N2CCc3sc(CC(=O)OCC)cc3C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 12/20 0.44
HCRTR2 O43614 5/20 0.38
ADORA1 P30542 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 3/20 0.36
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
KLKB1 P03952 1/20 0.34
PROC P04070 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
SCHEMBL7992676 0.96 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AHCRTR1
Trifluoroacetic Acid SCHEMBL7985628 0.92 ITGB3 (0.46) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7985697 0.92 ITGB3 (0.44) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7986550 0.90 ITGB3 (0.44) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7975791 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7975354 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7986493 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7986421 0.89 ITGB3 (0.43) ITGB3ITGA2BHCRTR2HCRTR1PLG
Trifluoroacetic Acid SCHEMBL7974814 0.89 ITGB3 (0.48) ITGB3ITGA2BHCRTR2ADORA1KMT2A
Trifluoroacetic Acid SCHEMBL7975986 0.88 ITGB3 (0.46) ITGB3ITGA2BHCRTR2ADORA1KMT2A

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