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Sugi Predict / Compounds / SCHEMBL21163549

SCHEMBL21163549

SCHEMBL21163549

CC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.38

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
SCHEMBL21163243 1.00 GAA (0.40) GAAHTT
SCHEMBL21163574 0.99 GAA (0.39) GAAHTT
SCHEMBL21163566 0.99 GAA (0.39) GAAHTT
SCHEMBL21163065 0.92 GAA (0.40) GAAHTT
SCHEMBL21163554 0.92 GAA (0.40) GAAHTT
SCHEMBL21163244 0.91 GAA (0.43) GAAHTT
SCHEMBL21163327 0.91 GAA (0.37) GAAHTT
SCHEMBL21162869 0.91 GAA (0.37) GAAHTT
SCHEMBL21163235 0.90 GAA (0.42) GAAHTT
SCHEMBL21162859 0.90 GAA (0.46) GAA

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