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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1246078

COc1c(CCOCCC(N)=O)cccc1CN1CCC2(CC1)CN(C(=O)c1csc(C(C)C)n1)CCO2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 17/20 0.60
▸ CHRM3 P20309 17/20 0.60
▸ GAA P10253 1/20 0.34
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ KCNH2 Q12809 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
Trifluoroacetic Acid SCHEMBL1246785 0.85 CHRM2 (0.59) CHRM2CHRM3
SCHEMBL1246163 0.84 CHRM3 (0.67) CHRM2CHRM3
SCHEMBL1247198 0.82 CHRM2 (0.70) CHRM2CHRM3
SCHEMBL1246700 0.81 CHRM3 (0.63) CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL6524158 0.81 ADRB2 (0.48) CHRM2CHRM3
SCHEMBL1246858 0.80 CHRM2 (0.64) CHRM2CHRM3GAA
Trifluoroacetic Acid SCHEMBL1246818 0.80 CHRM2 (0.62) CHRM2CHRM3GAA
SCHEMBL1245985 0.80 CHRM2 (0.66) CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL1244919 0.80 CHRM2 (0.64) CHRM2CHRM3
SCHEMBL1244891 0.80 CHRM3 (0.60) CHRM2CHRM3GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 — — EP disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed