Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7340646

N=C(NCC(F)(F)F)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.63
ITGA2B P08514 4/20 0.63
ALOX15 P16050 1/20 0.62
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL7346154 0.97 ITGB3 (0.67) ITGB3ITGA2BALOX15KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7336077 0.89 ITGB3 (0.49) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7340652 0.86 ITGB3 (0.50) ITGB3ITGA2BALOX15KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7345194 0.86 ITGB3 (0.62) ITGB3ITGA2BALOX15KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7334802 0.85 ITGB3 (0.87) ITGB3ITGA2BALOX15KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7340661 0.85 ITGB3 (0.61) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7343049 0.84 ITGB3 (0.50) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL9368708 0.84 ITGB3 (0.48) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7334894 0.79 ITGB3 (0.69) ITGB3ITGA2BALOX15KMT2AMEN1
SCHEMBL7337962 0.78 ITGB3 (0.68) ITGB3ITGA2BALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed