Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8553208

O=C(O)C(F)(F)F.O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNCC3)cc1OCC(=O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.90
ITGA2B P08514 13/20 0.90
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCD O00767 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
Trifluoroacetic Acid SCHEMBL8556044 0.94 ITGB3 (0.90) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL8554757 0.89 ITGB3 (0.90) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL8558868 0.89 ITGB3 (0.80) ITGB3ITGA2BKMT2AMEN1TPSAB1
SCHEMBL7680039 0.88 ITGB3 (1.00) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL8553811 0.88 ITGB3 (0.79) ITGB3ITGA2BKMT2AMEN1TPSAB1
Trifluoroacetic Acid SCHEMBL8557188 0.87 ITGB3 (0.78) ITGB3ITGA2BKMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL8558553 0.87 ITGB3 (0.78) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8558560 0.86 ITGB3 (0.82) ITGB3ITGA2BKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL8555282 0.86 ITGB3 (0.75) ITGB3ITGA2BKMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL8557628 0.83 ITGB3 (0.89) ITGB3ITGA2BKMT2AALDH1A1KDM4E

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 5 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 claimed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP claimed
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