Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8558440

CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)CCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.62
ITGA2B P08514 13/20 0.62
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HTR4 Q13639 1/20 0.34
ROCK2 O75116 1/20 0.34

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 SCHEMBL8555841 0.92 ITGB3 (0.55) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8554642 0.82 ITGB3 (0.90) ITGB3ITGA2BMEN1KMT2AROCK2
Trifluoroacetic Acid SCHEMBL8832901 0.80 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2APTGDR2
Trifluoroacetic Acid SCHEMBL8556791 0.79 ITGB3 (0.80) ITGB3ITGA2BMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8559818 0.77 ITGB3 (0.75) ITGB3ITGA2BMEN1KMT2APTGDR2
SCHEMBL14427061 0.76 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2A
SCHEMBL14426983 0.76 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2A
Trifluoroacetic Acid SCHEMBL8558175 0.75 ITGB3 (0.59) ITGB3ITGA2BMEN1KMT2APTGDR2
Hydrochloric Acid SCHEMBL1725748 0.75 ITGB3 (0.51) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL1725752 0.75 ITGB3 (0.51) 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 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