Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7985672

N=C(N)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCc3sc(CC(=O)O)cc3C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.53
ITGA2B P08514 9/20 0.53
KMT2A Q03164 1/20 0.45
HCRTR2 O43614 5/20 0.42
HCRTR1 O43613 3/20 0.39
F10 P00742 2/20 0.38
CCKBR P32239 1/20 0.37

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
SCHEMBL7985679 0.91 ITGB3 (0.46) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7975755 0.91 ITGB3 (0.61) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7989510 0.86 ITGB3 (0.65) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7975354 0.85 ITGB3 (0.49) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7975791 0.85 ITGB3 (0.49) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7986493 0.85 ITGB3 (0.49) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7974814 0.85 ITGB3 (0.48) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL8123335 0.83 ITGB3 (0.47) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7986567 0.83 ITGB3 (0.47) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
Trifluoroacetic Acid SCHEMBL7985201 0.83 ITGB3 (0.47) 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