Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7448252

CC(c1ccccc1)C(C(=O)O)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
ALOX15 P16050 1/20 0.51
KDM4E B2RXH2 6/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TMPRSS6 Q8IU80 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRIN2D O15399 1/20 0.37

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
SCHEMBL7435911 0.94 ITGB3 (0.57) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7442158 0.88 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4ECYP2C9
SCHEMBL7438673 0.86 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7447945 0.84 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7447952 0.83 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7443965 0.82 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4ECYP2C9
SCHEMBL7445913 0.82 ITGB3 (0.62) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7442373 0.81 ITGB3 (0.51) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7441166 0.81 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4ECYP2C9
Trifluoroacetic Acid SCHEMBL7431494 0.81 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed