SCHEMBL9499238

SCHEMBL9499238

CCCCC1CCC(C2CCC(C(=O)OC3CCC(CCC)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.45
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
TLR4 O00206 1/20 0.36
CCR2 P41597 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
SCHEMBL19446499 1.00 NAAA (0.45) NAAAPOLBHPGDHTTLMNA
SCHEMBL9561985 1.00 NAAA (0.45) NAAAPOLBHPGDHTTLMNA
SCHEMBL11403417 1.00 NAAA (0.45) NAAAPOLBHPGDHTTLMNA
SCHEMBL9499234 1.00 NAAA (0.45) NAAAPOLBHPGDHTTLMNA
SCHEMBL9560726 1.00 NAAA (0.45) NAAAPOLBHPGDHTTLMNA
SCHEMBL14302793 1.00 NAAA (0.45) NAAAPOLBHPGDHTTLMNA
SCHEMBL11403256 0.97 NAAA (0.47) NAAAPOLBHPGDHTTLMNA
SCHEMBL10660736 0.96 PKM (0.44) NAAAPOLBHPGDHTTLMNA
SCHEMBL9502518 0.96 PKM (0.44) NAAAPOLBHPGDHTTLMNA
SCHEMBL9502512 0.96 PKM (0.44) NAAAPOLBHPGDHTTLMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190016955-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2019-01-17 US disclosed
WO-2017118464-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2017-07-13 WO disclosed
US-20170044436-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 US disclosed
EP-3130650-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2017-02-15 EP disclosed
US-9222023-B2 Liquid crystal composition and display device thereof JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-12-29 US disclosed
US-20150076405-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-03-19 US disclosed
US-7335404-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-26 US disclosed
US-20070080325-A1 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-5236620-A 2,3-DIFLUOROBENZENE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-17 US disclosed
US-5188758-A Electrooptical display element using a supertwist liquid crystal having specified elastic constants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-02-23 US disclosed
US-4935160-A Liquid-crystal guest-host systems MERCK PATENT GESSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-19 US disclosed
US-4871470-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-03 US disclosed
EP-0300009-A1 LIQUID CRYSTALLINE MIXTURE. MERCK PATENT GMBH (DE) 1989-01-25 EP disclosed
US-4799774-A Electrooptical display element using a supertwist liquid crystal having specified elastic constants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-01-24 US disclosed
WO-1988005803-A1 LIQUID CRYSTALLINE MIXTURE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-08-11 WO disclosed
US-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US disclosed