SCHEMBL13239386

SCHEMBL13239386

CCCCCCCCOC1CCC(C2CCC(C(=O)OC(CC)C3CCCCC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
EPHX2 P34913 4/20 0.37
NAAA Q02083 3/20 0.36
CTSK P43235 1/20 0.36
EPHX1 P07099 8/20 0.32

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
SCHEMBL883746 0.82 CTSK (0.42) TSHRNAAACTSKEPHX1
SCHEMBL9607899 0.79 SHBG (0.35) CTSKEPHX1
SCHEMBL12152925 0.79 EPHX1 (0.35) TSHRCTSKEPHX1
SCHEMBL17147338 0.78 CTSK (0.35) CTSK
SCHEMBL14451346 0.78 SHBG (0.33) EPHX2EPHX1
SCHEMBL18476305 0.76 SHBG (0.31)
SCHEMBL10022764 0.75 ALDH1A1 (0.36)
SCHEMBL13767051 0.73 CTSK (0.40) TSHRNAAACTSKEPHX1
SCHEMBL12733083 0.72 MEN1 (0.42) EPHX2NAAA
SCHEMBL11240084 0.72 EPHX2 (0.45) TSHREPHX2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340328-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 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
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 US disclosed
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-7201951-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-04-10 US disclosed