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SCHEMBL19720369

SCHEMBL19720369

CC1(C)CC(OC(=O)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(S)C(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL19720331 0.94 GAA (0.38) GAAHTT
SCHEMBL19884569 0.94 GAA (0.38) GAAHTT
SCHEMBL15686228 0.86 GAA (0.41) GAAHTT
SCHEMBL18472701 0.85 GAA (0.44) GAAHTT
SCHEMBL23486509 0.84 GAA (0.38) GAA
SCHEMBL20428966 0.84 GAA (0.38) GAAHTT
SCHEMBL19027248 0.84 GAA (0.38) GAAHTT
SCHEMBL20925125 0.84 GAA (0.38) GAAHTT
SCHEMBL21675508 0.83 GAA (0.37) GAAHTT
SCHEMBL25805960 0.83 GAA (0.37) GAAHTT

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-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 — — EP disclosed