Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8554545

O=C(O)C(F)(F)F.O=C(O)COc1ccc(CCNCc2cc3c(s2)CCNC3)cc1OCC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.50
ITGA2B P08514 10/20 0.50
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC2A1 P11166 1/20 0.33
PNMT P11086 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 SCHEMBL8554448 0.85 ITGB3 (0.66) ITGB3ITGA2BSMN1; SMN2TPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8556868 0.82 ITGB3 (0.46) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
SCHEMBL8554071 0.74 P2RX3 (0.43) ALDH1A1TP53SMN1; SMN2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL8555202 0.74 ITGB3 (0.67) ITGB3ITGA2BALDH1A1CYP2C19CYP2C9
Trifluoroacetic Acid SCHEMBL7831422 0.74 ITGB3 (0.70) ITGB3ITGA2BMEN1KMT2ATPSAB1
Trifluoroacetic Acid SCHEMBL8556044 0.73 ITGB3 (0.90) ITGB3ITGA2BALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL17965645 0.71 PNMT (0.49) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8556353 0.71 ITGB3 (0.65) ITGB3ITGA2BMEN1KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL8553811 0.70 ITGB3 (0.79) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL8558868 0.69 ITGB3 (0.80) ITGB3ITGA2BSMN1; SMN2HTTMEN1

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