Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986550

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NS(=O)(=O)c3ccccc3)cc1)NC(=O)c1ccc(C(=N)N)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
HCRTR2 O43614 3/20 0.41
KMT2A Q03164 1/20 0.40
ADORA1 P30542 1/20 0.39
F2 P00734 6/20 0.39
TMPRSS6 Q8IU80 4/20 0.39
HCRTR1 O43613 1/20 0.39
PLG P00747 4/20 0.39
ST14 Q9Y5Y6 3/20 0.39
HPN P05981 1/20 0.39
F10 P00742 3/20 0.38
PLAU P00749 2/20 0.38

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
SCHEMBL7989414 0.97 ITGB3 (0.47) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7986421 0.95 ITGB3 (0.43) ITGB3ITGA2BHCRTR2F2TMPRSS6
Trifluoroacetic Acid SCHEMBL7985628 0.93 ITGB3 (0.46) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7985697 0.92 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7974814 0.92 ITGB3 (0.48) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7975986 0.91 ITGB3 (0.46) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7985418 0.90 ITGB3 (0.44) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7986493 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7975354 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AADORA1
Trifluoroacetic Acid SCHEMBL7975791 0.89 ITGB3 (0.49) ITGB3ITGA2BHCRTR2KMT2AADORA1

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