SCHEMBL31328

SCHEMBL31328

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL20434798 0.90 GAA (0.43) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL11473446 0.89 CYP2D6 (0.40) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL13297030 0.87 CYP2D6 (0.39) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL9680576 0.85 CYP2D6 (0.38) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL25142267 0.85 CYP2D6 (0.38) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL12672366 0.84 CYP2D6 (0.37) CYP2D6LMNATSHRKMT2A
SCHEMBL25475351 0.84 CYP2D6 (0.37) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL23871042 0.84 CYP2D6 (0.37) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL19525835 0.83 CYP2D6 (0.36) CYP2D6LMNATSHRNFKB1CYP2C19
SCHEMBL14142979 0.83 CYP2D6 (0.36) CYP2D6LMNATSHRNFKB1CYP2C19

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623451-B1 COMPOUND MERCK PATENT GMBH (DE) 2021-01-20 EP disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 US disclosed
EP-3400271-B1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-10626666-B2 Device for regulating the passage of light MERCK PATENT GMBH (DE) 2020-04-21 US disclosed
EP-3623451-A1 COMPOUND Merck Patent GmbH (DE) 2020-03-18 EP disclosed
US-10465114-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-11-05 US disclosed
EP-3083885-B1 WINDOW MERCK PATENT GMBH (DE) 2019-10-09 EP disclosed
EP-3173457-B1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DAINIPPON INK & CHEMICALS (JP) 2019-06-05 EP disclosed
US-10301545-B2 Device containing a liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-10260001-B2 Liquid crystal material MERCK PATENT GMBH (DE) 2019-04-16 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed
EP-2265691-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
WO-2012100901-A1 DEVICE CONTAINING A LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2012-08-02 WO disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed
WO-2011154077-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-12-15 WO disclosed
US-20110101270-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 US disclosed
WO-2009129911-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH, (DE) 2009-10-29 WO disclosed