Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7447945

COC(=O)C(c1ccccc1)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 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
ALOX15 P16050 1/20 0.51
CHRM4 P08173 1/20 0.49
NPY2R P49146 4/20 0.47
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7434995 0.94 ITGB3 (0.57) ITGB3ITGA2BALOX15CHRM4NPY2R
Trifluoroacetic Acid SCHEMBL7442158 0.90 ITGB3 (0.56) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7437183 0.90 ITGB3 (0.48) ITGB3ITGA2BALOX15CHRM4KDM4E
SCHEMBL7444145 0.89 ITGB3 (0.53) ITGB3ITGA2BALOX15CHRM4NPY2R
SCHEMBL7439370 0.88 ITGB3 (0.50) ITGB3ITGA2BALOX15CHRM4NPY2R
SCHEMBL7449068 0.87 ITGB3 (0.53) ITGB3ITGA2BALOX15CHRM4NPY2R
SCHEMBL7435464 0.86 ITGB3 (0.53) ITGB3ITGA2BALOX15CHRM4NPY2R
SCHEMBL7441246 0.85 ITGB3 (0.53) ITGB3ITGA2BALOX15CHRM4NPY2R
Hydrogen Sulfide SCHEMBL7442224 0.85 NPY2R (0.50) ITGB3ITGA2BALOX15CHRM4NPY2R
SCHEMBL7446324 0.85 ITGB3 (0.53) ITGB3ITGA2BALOX15CHRM4NPY2R

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