SCHEMBL28034654

SCHEMBL28034654

C=COC(=O)C(=O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 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
SCHEMBL28550825 0.75
SCHEMBL177879 0.74 LMNA (0.35) TSHR
SCHEMBL93534 0.74
Ethylene SCHEMBL624961 0.72 TSHR (0.38) TSHR
SCHEMBL2780173 0.70
SCHEMBL6472544 0.70
SCHEMBL6429658 0.70
SCHEMBL7922554 0.70 TDP1 (0.44) TSHR
SCHEMBL29255972 0.70 CA2 (0.39) TSHR
SCHEMBL28776420 0.70

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
CN-105111084-A Synthesis method of 4-substituted-3-methyl-2,4-dioxobutyrate UNIV TAIZHOU 2015-12-02 CN disclosed