SCHEMBL10030747

SCHEMBL10030747

C=C(C)C(=O)OC1CCC(C2CCC(C(CC)OC(=O)C(=C)C)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 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
SCHEMBL13348378 0.91 TSHR (0.34) THRB
SCHEMBL10074039 0.82 TLR4 (0.39)
SCHEMBL23494341 0.81 ALDH1A1 (0.35) THRB
SCHEMBL9972479 0.80 ALDH1A1 (0.41) THRB
SCHEMBL372980 0.74 ALDH1A1 (0.46) THRB
SCHEMBL342182 0.74 ALDH1A1 (0.46) THRB
SCHEMBL25278 0.74
SCHEMBL3022237 0.74 EPHX1 (0.37) THRB
SCHEMBL15062156 0.74 ALDH1A1 (0.35) THRB
SCHEMBL17350412 0.74 TSHR (0.37) THRB

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
EP-2239310-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 EP disclosed
WO-2010072370-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2010-07-01 WO disclosed