SCHEMBL24453051

SCHEMBL24453051

O=S(=O)(NS(=O)(=O)C(F)(F)F)Oc1ccc(C2CO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GSTO1 P78417 1/20 0.31

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
SCHEMBL24453045 0.88 HSD11B1 (0.33) PTPN1CA1CA2CA9GSTO1
SCHEMBL24453054 0.80 ALDH1A1 (0.54) PTPN1TSHR
SCHEMBL24452514 0.78 CA2 (0.38) TSHRCA1CA2CA9GSTO1
SCHEMBL24452904 0.77 CA2 (0.43) TSHRCA1CA2CA9GSTO1
SCHEMBL18195885 0.75 KMT2A (0.47) PTPN1CA1CA2CA9
SCHEMBL24453050 0.74
SCHEMBL24465268 0.72 CA1 (0.33) TSHRDRD2DRD1DRD4DRD5
SCHEMBL24452906 0.72 CA2 (0.59) CA1CA2CA9
SCHEMBL82815 0.72 MMP2 (0.44) TSHRCA2GSTO1
SCHEMBL82816 0.72 MMP2 (0.44) TSHRCA2GSTO1

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