Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8959450

CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(C#Cc3ccc(CCN)cc3)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.66
ITGA2B P08514 4/20 0.66
FFAR1 O14842 16/20 0.40
FFAR4 Q5NUL3 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 SCHEMBL7325747 0.93 ITGB3 (0.68) ITGB3ITGA2BFFAR1
SCHEMBL8959452 0.87 ITGB3 (0.54) ITGB3ITGA2BFFAR1
SCHEMBL7326643 0.87 ITGB3 (0.75) ITGB3ITGA2BFFAR1
Trifluoroacetic Acid SCHEMBL7320877 0.86 ITGB3 (0.90) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8959447 0.86 ITGB3 (0.66) ITGB3ITGA2BFFAR1
Trifluoroacetic Acid SCHEMBL7322477 0.86 ITGB3 (0.61) ITGB3ITGA2BFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL7324537 0.86 ITGB3 (0.69) ITGB3ITGA2BFFAR1
Trifluoroacetic Acid SCHEMBL7332353 0.85 ITGB3 (0.60) ITGB3ITGA2BFFAR1FFAR4
Trifluoroacetic Acid SCHEMBL7331756 0.83 ITGB3 (0.50) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7326572 0.82 ITGB3 (0.76) ITGB3ITGA2BFFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed