SCHEMBL20869337

SCHEMBL20869337

C=C(C)C(=O)OC1CCC(C2CC(OC(=O)C(=C)C)CC(OC(=O)C(=C)C)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 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
SCHEMBL9972479 0.91 ALDH1A1 (0.41) ALDH1A1THRB
SCHEMBL91316 0.88 CHRM2 (0.36) ALDH1A1THRBCHRM2CHRM4CHRM5
SCHEMBL9970229 0.87 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL17614044 0.87 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL91315 0.86 ALDH1A1 (0.34) ALDH1A1THRBCHRM2CHRM4CHRM5
SCHEMBL372980 0.84 ALDH1A1 (0.46) ALDH1A1THRB
SCHEMBL687414 0.84 ALDH1A1 (0.46) ALDH1A1THRBCHRM2CHRM4CHRM5
SCHEMBL342182 0.84 ALDH1A1 (0.46) ALDH1A1THRB
SCHEMBL25278 0.84
SCHEMBL2779120 0.84 ALDH1A1 (0.33) ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877485-B1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
US-20230029961-A1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-02-02 US disclosed
EP-3688118-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20200263091-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
WO-2019063585-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-04-04 WO disclosed