SCHEMBL24453027

SCHEMBL24453027

O=C(OCCS(=O)(=O)O)C1C2CC3CC(C2)C(OCC2CO2)C1C3

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
CYP3A4 P08684 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
SCHEMBL24452780 0.77
SCHEMBL24452506 0.76 TP53 (0.37) TP53CYP3A4
SCHEMBL12411754 0.76
SCHEMBL10172861 0.75 ALDH1A1 (0.34) CYP3A4
SCHEMBL24452508 0.74
SCHEMBL24452507 0.72
SCHEMBL20008898 0.71
SCHEMBL24453056 0.68 TP53 (0.38) TP53CYP3A4
SCHEMBL24861771 0.68 TP53 (0.71) TP53CYP3A4
SCHEMBL18775871 0.68 TP53 (0.71) TP53CYP3A4

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
US-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed