SCHEMBL24453056

SCHEMBL24453056

O=C(OCCS(=O)(=O)O)C1CCCC(OCC2CO2)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL24465319 0.85 TP53 (0.40) TP53CYP3A4ALDH1A1
SCHEMBL15250489 0.80 TP53 (0.39) TP53CYP3A4
SCHEMBL18775801 0.78 SMN1; SMN2 (0.37) ALDH1A1
SCHEMBL24452533 0.75 TP53 (0.32) TP53CYP3A4
SCHEMBL24861771 0.75 TP53 (0.71) TP53CYP3A4ALDH1A1
SCHEMBL18775871 0.75 TP53 (0.71) TP53CYP3A4ALDH1A1
SCHEMBL24452520 0.75 TP53 (0.32) TP53CYP3A4
SCHEMBL10067085 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL26312808 0.74 SMN1; SMN2 (0.32)
SCHEMBL25845167 0.74 EPHX2 (0.30)

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
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
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