SCHEMBL24453077

SCHEMBL24453077

O=C(Cc1cc(C2CO2)c2ccccc2c1)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.33
MGLL Q99685 2/20 0.31
BCHE P06276 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
SCHEMBL24453063 0.85 MGLL (0.37) MGLLBCHE
SCHEMBL24452962 0.81 MGLL (0.30) MGLLBCHE
SCHEMBL24452960 0.79 PARP1 (0.38) MGLL
SCHEMBL24453075 0.79 MGLL (0.30) MGLL
SCHEMBL24452961 0.78 MGLL (0.36) MGLL
SCHEMBL24453046 0.74 BCHE (0.31) BCHE
SCHEMBL24452985 0.74 ACP1 (0.37) PTGDR2MGLL
SCHEMBL24452959 0.72 ALDH1A1 (0.39) MGLL
SCHEMBL24452786 0.72 BCHE (0.31) BCHE
SCHEMBL24453064 0.72 ALDH1A1 (0.46) MGLL

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