Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8558175

CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)[C@H]1CC[C@H](C(=N)N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.59
ITGA2B P08514 8/20 0.59
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.36
TMPRSS15 P98073 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
LTB4R Q15722 5/20 0.35
LTB4R2 Q9NPC1 5/20 0.35
PARP1 P09874 1/20 0.33
PTGDR Q13258 1/20 0.33
F2 P00734 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33

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
SCHEMBL8555133 0.94 ITGB3 (0.66) ITGB3ITGA2BMEN1KMT2AHSD11B1
SCHEMBL8557525 0.84 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2AHSD11B1
SCHEMBL8832760 0.83 ITGB3 (0.58) ITGB3ITGA2BMEN1KMT2AHSD11B1
SCHEMBL8555229 0.80 ITGB3 (0.53) ITGB3ITGA2BMEN1KMT2AHSD11B1
Trifluoroacetic Acid SCHEMBL8555841 0.76 ITGB3 (0.55) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8558440 0.75 ITGB3 (0.62) ITGB3ITGA2BMEN1KMT2APTGDR2
SCHEMBL8381416 0.75 ITGB3 (1.00) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8832901 0.74 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL7832825 0.73 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8556612 0.73 MEN1 (0.53) ITGB3ITGA2BMEN1KMT2APTGDR2

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 3 patents. 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
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed