SCHEMBL24465356

SCHEMBL24465356

O=[SH](=O)CC1CCCC(OCC2CO2)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL14415209 0.82 TSHR (0.36) TP53CYP3A4TSHR
SCHEMBL730238 0.79 TSHR (0.43) TP53CYP3A4TSHR
SCHEMBL14419976 0.75 SMN1; SMN2 (0.32) TSHR
SCHEMBL13033290 0.71 TSHR (0.36) TP53CYP3A4TSHR
SCHEMBL17450073 0.71 TP53 (0.37) TP53CYP3A4TSHR
SCHEMBL732071 0.71 TSHR (0.46) TP53CYP3A4TSHR
SCHEMBL7876608 0.71 TSHR (0.46) TP53CYP3A4TSHR
SCHEMBL24452767 0.70 KAT8 (0.31)
SCHEMBL24465366 0.70 CA2 (0.47) TP53CYP3A4TSHR
SCHEMBL472962 0.69 TSHR (0.44) TP53CYP3A4TSHR

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed