Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7719599

N#Cc1cnc(NCC(F)(F)c2cccc[n+]2[O-])c(=O)n1CC(=O)NCCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.64
F10 P00742 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57

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
SCHEMBL7403758 0.86 F2 (0.61) F2
Hydrochloric Acid SCHEMBL7369618 0.83 F2 (0.78) F2PRSS1
Hydrochloric Acid SCHEMBL7371422 0.81 F2 (0.79) F2PRSS1PRSS2PRSS3
SCHEMBL7367776 0.79 F2 (0.86) F2
SCHEMBL7715240 0.78 F2 (1.00) F2
Trifluoroacetic Acid SCHEMBL7364412 0.76 F2 (0.49) F2PRSS1
SCHEMBL7371121 0.73 F2 (1.00) F2PRSS1
SCHEMBL7403262 0.73 F2 (0.63) F2
SCHEMBL5856303 0.73 F2 (0.79) F2
SCHEMBL7371718 0.73 F2 (1.00) F2

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
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed