Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8553247

CNC[C@H]1CC[C@H](N(C=O)CC(=O)c2ccc(OCC(=O)O)c(OCC(=O)O)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.44
ITGA2B P08514 10/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.35
LTB4R Q15722 4/20 0.35
LTB4R2 Q9NPC1 4/20 0.35
SCD O00767 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PTGIR P43119 1/20 0.32

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
SCHEMBL8554843 0.83 ITGB3 (0.46) ITGB3ITGA2BMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8553251 0.80 ITGB3 (0.69) ITGB3ITGA2BMEN1KMT2APTGDR2
SCHEMBL8558208 0.79 ITGB3 (0.45) ITGB3ITGA2BPTGDR2
SCHEMBL8559370 0.77 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2ALTB4R
Trifluoroacetic Acid SCHEMBL8555841 0.74 ITGB3 (0.55) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8832901 0.72 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8558440 0.71 ITGB3 (0.62) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8559818 0.70 ITGB3 (0.75) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8558175 0.70 ITGB3 (0.59) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8553663 0.69 ITGB3 (0.88) ITGB3ITGA2BMEN1KMT2A

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-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed