SCHEMBL28829534

SCHEMBL28829534

C=CC(=O)OC(C)C1CO1.C=CC(=O)OC(C)COP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 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
SCHEMBL288371 0.85 TSHR (0.44) TSHRPGK1PGK2
SCHEMBL31055781 0.85 TSHR (0.44) TSHRPGK1PGK2
SCHEMBL27885526 0.83 TSHR (0.43) TSHRPGK1PGK2
SCHEMBL27040300 0.83 TSHR (0.43) TSHRPGK1PGK2
SCHEMBL27040272 0.83 TSHR (0.43) TSHRPGK1PGK2
SCHEMBL10870459 0.82 TSHR (0.38) TSHR
SCHEMBL1504293 0.82 TSHR (0.38) TSHR
Ethylene SCHEMBL27409771 0.80 TSHR (0.37) TSHR
Ethylene SCHEMBL27619830 0.79 TSHR (0.36) TSHR
SCHEMBL27540547 0.77 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814480-A Liquid crystal display device DIC株式会社 2016-07-27 CN disclosed
CN-105814479-A Liquid crystal display device DIC株式会社 2016-07-27 CN disclosed