SCHEMBL24465345

SCHEMBL24465345

NN(C(=O)C(COCC1CO1)COCC1CO1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 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
SCHEMBL24452793 0.87 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL24453010 0.80 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL24453016 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24453011 0.76 TSHR (0.37) ALDH1A1TSHRMAPK1
SCHEMBL24452795 0.76 TSHR (0.44) ALDH1A1TSHRMAPK1
SCHEMBL24452796 0.75 TSHR (0.46) ALDH1A1TSHRMAPK1
SCHEMBL24452792 0.74 TSHR (0.45) ALDH1A1TSHR
SCHEMBL24452797 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL24465293 0.70 TP53 (0.31)
SCHEMBL24465294 0.69 TSHR (0.37) ALDH1A1TSHRMAPK1

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