Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7340671

O=C(O)C(F)(F)F.O=C(O)CN1CCC(N2CCN(c3ccc(C=NNC(=O)c4ccccc4)cc3)CC2)CC1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
CA2 P00918 9/20 0.50
CA9 Q16790 9/20 0.50
CA7 P43166 8/20 0.50
ALOX15 P16050 1/20 0.50
CA1 P00915 7/20 0.49
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7337977 0.95 ITGB3 (0.56) ITGB3ITGA2BCA2CA9CA7
SCHEMBL7344011 0.84 MAPT (0.51) ITGB3ITGA2BCA2CA9CA7
Trifluoroacetic Acid SCHEMBL7336173 0.83 ITGB3 (0.58) ITGB3ITGA2BCA2CA9CA7
Trifluoroacetic Acid SCHEMBL7340661 0.81 ITGB3 (0.61) ITGB3ITGA2BALOX15MAPTCYP2C9
SCHEMBL7337509 0.78 ITGB3 (0.52) ITGB3ITGA2BALOX15MAPTCYP1A2
SCHEMBL7335557 0.77 ITGB3 (0.53) ITGB3ITGA2BCA2CA9CA7
SCHEMBL6839450 0.77 ITGB3 (0.65) ITGB3ITGA2BALOX15MAPTCYP2C9
Methane SCHEMBL7337948 0.76 ITGB3 (0.64) ITGB3ITGA2BALOX15MAPTCYP2C9
Trifluoroacetic Acid SCHEMBL7334802 0.75 ITGB3 (0.87) ITGB3ITGA2BALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL8431413 0.75 ALOX15 (0.64) ITGB3ITGA2BALOX15MAPTCYP2C9

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