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Sugi Predict / Compounds / SCHEMBL21163072

SCHEMBL21163072

SCHEMBL21163072

CN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C2C(=O)OC2CC(C)(C)NC(C)(C)C2)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39

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
SCHEMBL21163545 0.99 GAA (0.40) GAA
SCHEMBL21163432 0.99 GAA (0.40) GAA
SCHEMBL21163569 0.99 GAA (0.40) GAA
SCHEMBL21162857 0.99 GAA (0.40) GAA
SCHEMBL21163564 0.92 TSHR (0.31) GAA
SCHEMBL21163221 0.90 GAA (0.40) GAA
SCHEMBL21163536 0.90 GAA (0.40) GAA
SCHEMBL21162854 0.90 GAA (0.40) GAA
SCHEMBL21162867 0.90 TSHR (0.32) GAA
SCHEMBL21163438 0.90 GAA (0.45) 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