SCHEMBL26212910

SCHEMBL26212910

CN1C(C)(C)CC(OC(=O)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL29978895 1.00 GAA (0.38) GAACYP2D6LMNA
SCHEMBL12890874 1.00 GAA (0.38) GAACYP2D6LMNA
SCHEMBL15773586 1.00 GAA (0.38) GAACYP2D6LMNA
SCHEMBL15959788 0.95 GAA (0.35) GAA
SCHEMBL20113386 0.92 CYP2D6 (0.35) GAACYP2D6LMNA
SCHEMBL30795 0.92 CYP2D6 (0.35) GAACYP2D6LMNA
SCHEMBL22078977 0.90 GAA (0.44) GAA
SCHEMBL19648617 0.90 GAA (0.44) GAA
SCHEMBL20428960 0.90 GAA (0.44) GAA
SCHEMBL30792 0.90 GAA (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed