Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7337888

CC(C)(C)OC(=O)C[N+]1(C)CCC(C2CCN(c3ccc(C(=N)N)cc3)CC2)CC1.O=C([O-])C(F)(F)F

nearest known ligand 0.48

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.48
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37

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 SCHEMBL7337896 1.00 GPR119 (0.48) GPR119ITGB3ITGA2BF2PRSS1
SCHEMBL7345415 0.94 GPR119 (0.53) GPR119ITGB3ITGA2BF2PRSS1
SCHEMBL7347730 0.94 GPR119 (0.53) GPR119ITGB3ITGA2BF2PRSS1
Trifluoroacetic Acid SCHEMBL7337569 0.90 ITGB3 (0.48) GPR119ITGB3ITGA2BF2PRSS1
Trifluoroacetic Acid SCHEMBL7337566 0.90 ITGB3 (0.48) GPR119ITGB3ITGA2BF2PRSS1
Trifluoroacetic Acid SCHEMBL7338643 0.90 ITGB3 (0.48) GPR119ITGB3ITGA2BF2PRSS1
Trifluoroacetic Acid SCHEMBL7341384 0.88 ITGB3 (0.45) GPR119ITGB3ITGA2BF2PRSS1
Trifluoroacetic Acid SCHEMBL7341388 0.88 ITGB3 (0.45) GPR119ITGB3ITGA2BF2PRSS1
SCHEMBL7341394 0.85 GPR119 (0.41) GPR119ITGB3ITGA2BF2PRSS1
SCHEMBL7337907 0.82 ITGB3 (0.53) GPR119ITGB3ITGA2BF2PRSS1

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