Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8556981

NC[C@H]1CC[C@H](C(=O)NCCc2ccc(OCC(=O)O)c(OCC(=O)O)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41

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 SCHEMBL8553663 0.83 ITGB3 (0.88) ITGB3ITGA2BKMT2AMEN1F11
Trifluoroacetic Acid SCHEMBL8555606 0.76 ITGB3 (0.64) ITGB3ITGA2BCYP3A4ALDH1A1CYP2C19
Trifluoroacetic Acid SCHEMBL8835431 0.74 ITGB3 (0.50) ITGB3ITGA2BF11KLKB1
SCHEMBL15679868 0.73 POLB (0.64) ALDH1A1CYP2C19KDM4EMAPTHPGD
Trifluoroacetic Acid SCHEMBL8553251 0.72 ITGB3 (0.69) ITGB3ITGA2BALDH1A1HPGDKMT2A
SCHEMBL15678800 0.71 ALDH1A1 (0.58) CYP3A4ALDH1A1CYP2D6CYP2C19KDM4E
SCHEMBL24211522 0.70 ALPG (0.43) ITGB3ITGA2BCYP3A4ALDH1A1KDM4E
SCHEMBL7838949 0.69 KMT2A (0.74) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8555458 0.68 KDM4E (0.50) CYP3A4CYP1A2KDM4EMAPTKMT2A
SCHEMBL7279475 0.67 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTKMT2AMEN1

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