SCHEMBL24453041

SCHEMBL24453041

O=C(OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)c1ccc2ccc(C3CO3)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
PARP1 P09874 1/20 0.32
GSTO1 P78417 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
SCHEMBL24452784 0.97 BCHE (0.33) BCHEPARP1GSTO1
SCHEMBL24452785 0.88 LMNA (0.31) PARP1
SCHEMBL24452782 0.86 PARP1 (0.47) BCHEPARP1GSTO1
SCHEMBL24453072 0.82 ALDH1A1 (0.39) BCHE
SCHEMBL13079573 0.81 CES2 (0.41)
SCHEMBL24453075 0.80 MGLL (0.30)
SCHEMBL24453071 0.79 ALDH1A1 (0.40) BCHE
SCHEMBL24453055 0.78 GSTO1 (0.31) BCHEPARP1GSTO1
SCHEMBL25021244 0.77 TDP1 (0.30)
SCHEMBL24453030 0.77 HRH3 (0.38) BCHEPARP1GSTO1

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