Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9372102

CC1CN(c2ccc(C=NN)cc2)CCN1C1CCN(CC(=O)O)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.41
CXCR3 P49682 13/20 0.37
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM4 P08173 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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 SCHEMBL9372072 1.00 ITGB3 (0.41) ITGB3ITGA2BALOX15CXCR3CHRM2
SCHEMBL7338583 0.94 ITGB3 (0.45) ITGB3ITGA2BALOX15CXCR3
Trifluoroacetic Acid SCHEMBL7344235 0.90 CXCR3 (0.35) ITGB3ITGA2BALOX15CXCR3CHRM2
Trifluoroacetic Acid SCHEMBL7336173 0.85 ITGB3 (0.58) ITGB3ITGA2BALOX15ALDH1A1HPGD
SCHEMBL7343666 0.84 CXCR3 (0.37) ITGB3ITGA2BALOX15CXCR3
Trifluoroacetic Acid SCHEMBL9372077 0.83 ITGB3 (0.62) ITGB3ITGA2BALOX15CXCR3
SCHEMBL6839450 0.78 ITGB3 (0.65) ITGB3ITGA2BALOX15ALDH1A1
Methane SCHEMBL7337948 0.77 ITGB3 (0.64) ITGB3ITGA2BALOX15ALDH1A1
Trifluoroacetic Acid SCHEMBL7341382 0.77 ITGB3 (0.46) ITGB3ITGA2BALOX15ALDH1A1HPGD
SCHEMBL7338567 0.77 ITGB3 (0.69) ITGB3ITGA2BALOX15CXCR3

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-0612313-A1 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-31 EP disclosed
WO-1993010091-A2 PIPERIDINE ACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-05-27 WO disclosed