SCHEMBL28087702

SCHEMBL28087702

C=C(C)C(=O)OCC(C)(C)COOC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SERPINE1 P05121 1/20 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
SCHEMBL15337 0.88 TSHR (0.50) TSHRTHRBALDH1A1SERPINE1
SCHEMBL6039620 0.88 TSHR (0.38) TSHRTHRBALDH1A1
SCHEMBL9703968 0.85 TSHR (0.41) TSHRTHRBALDH1A1SERPINE1
SCHEMBL1412680 0.85 TSHR (0.33) TSHRTHRBALDH1A1
SCHEMBL750628 0.84 TSHR (0.40) TSHRTHRBALDH1A1SERPINE1
SCHEMBL4907360 0.84 THRB (0.46) TSHRTHRBALDH1A1SERPINE1
SCHEMBL27864627 0.83 ALDH1A1 (0.37) TSHRTHRBALDH1A1
SCHEMBL11682314 0.82 TSHR (0.45) TSHRTHRBALDH1A1SERPINE1
SCHEMBL8773894 0.82 THRB (0.57) TSHRTHRBALDH1A1SERPINE1
SCHEMBL9576258 0.82 THRB (0.47) TSHRTHRBALDH1A1SERPINE1

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
CN-109415474-A SILICONE HYDROGELS COMPRISING HIGH LEVELS OF POLYAMIDES 庄臣及庄臣视力保护公司 2019-03-01 CN claimed
CN-104619474-B Method for producing plastic molded parts with UV-curing paint and the molded parts 科思创德国股份有限公司 2016-12-21 CN disclosed
CN-105934406-A UV-patternable hard-coating for transparent conductive film 科思创德国股份有限公司 2016-09-07 CN disclosed