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SCHEMBL21163200

SCHEMBL21163200

CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(O)C(C)(C)C3)C(OC(=O)C3CC(C)(C)N(O)C(C)(C)C3)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
SCHEMBL21163056 0.93 GAA (0.32) GAAHTT
SCHEMBL21162851 0.93 GAA (0.36) GAAHTT
SCHEMBL21163547 0.93 GAA (0.36) GAAHTT
SCHEMBL21163380 0.91 GAA (0.37) GAAHTT
SCHEMBL21163304 0.90 GAA (0.40) GAA
SCHEMBL21163539 0.86 GAA (0.31) GAAHTT
SCHEMBL21163225 0.86 GAA (0.31) GAAHTT
SCHEMBL21162825 0.85 GAA (0.31) GAA
SCHEMBL21163540 0.84 GAA (0.35) GAAHTT
SCHEMBL21163387 0.83 GAA (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975305-B2 Piperidine derivative, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2021-04-13 — — US disclosed
US-20190194542-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-06-27 — — US disclosed