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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6727593

COCCc1nc2c(N)nc3ccccc3c2n1CCCCCNS(=O)(=O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.57

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.57
▸ TLR8 Q9NR97 1/20 0.48

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 SCHEMBL3813289 0.90 TLR7 (0.62) TLR7TLR8
Trifluoroacetic Acid SCHEMBL5349765 0.89 TLR7 (0.57) TLR7TLR8
SCHEMBL5749730 0.86 TLR7 (0.58) TLR7TLR8
SCHEMBL3972612 0.86 TLR7 (0.76) TLR7TLR8
Trifluoroacetic Acid SCHEMBL6721193 0.86 TLR7 (0.50) TLR7
SCHEMBL14516474 0.85 TLR7 (0.67) TLR7TLR8
SCHEMBL13722064 0.85 TLR7 (0.69) TLR7TLR8
SCHEMBL728965 0.85 TLR7 (0.78) TLR7TLR8
Trifluoroacetic Acid SCHEMBL3815785 0.85 TLR7 (0.56) TLR7
Trifluoroacetic Acid SCHEMBL3814290 0.85 TLR7 (0.51) TLR7

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-6677349-B1 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 — — US disclosed