Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7344235

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

nearest known ligand 0.35

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ALOX15 P16050 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL7343666 0.95 CXCR3 (0.37) CXCR3MEN1NPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL9372072 0.90 ITGB3 (0.41) CXCR3CHRM2CHRM1CHRM5CHRM3
Trifluoroacetic Acid SCHEMBL9372102 0.90 ITGB3 (0.41) CXCR3CHRM2CHRM1CHRM5CHRM3
Trifluoroacetic Acid SCHEMBL7344230 0.85 ITGB3 (0.49) CXCR3ITGB3ITGA2BALOX15
SCHEMBL7338583 0.84 ITGB3 (0.45) CXCR3ITGB3ITGA2BALOX15
SCHEMBL7345353 0.81 ITGB3 (0.47) MEN1NPC1RAB9AKMT2AITGB3
Trifluoroacetic Acid SCHEMBL7339244 0.79 KDM4E (0.40) MEN1NPC1RAB9AKMT2AITGB3
SCHEMBL7343661 0.79 ITGB3 (0.52) CXCR3ITGB3ITGA2BALOX15
SCHEMBL7338959 0.79 ITGB3 (0.40) CXCR3ITGB3ITGA2BALOX15
Trifluoroacetic Acid SCHEMBL7334117 0.79 MEN1 (0.36) MEN1NPC1RAB9AKMT2A

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