SCHEMBL25565783

SCHEMBL25565783

COCCOC(=O)C(C(C)(C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22778386 0.94 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL22047258 0.94 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL21019773 0.94 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL22115756 0.80 TSHR (0.38) TSHRCA12CA1CA2CA9
SCHEMBL22353615 0.79 MGAM (0.37) TSHR
SCHEMBL16134506 0.77 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL22115751 0.77 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL19185355 0.77 ALDH1A1 (0.52) TSHRALDH1A1SMN1; SMN2
SCHEMBL22047259 0.76 ALDH1A1 (0.52) TSHRCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL15468449 0.75 TSHR (0.35) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023090304-A1 POLYMER, ELASTOMER, PRODUCTION METHOD THEREFOR, ACTUATOR, AND SENSOR 大阪有機化学工業株式会社 2023-05-25 WO disclosed