SCHEMBL24453032

SCHEMBL24453032

O=C(OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)C1CCc2cc(OCC3CO3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 0.41
PKM P14618 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL24453035 0.92 ALDH1A1 (0.40) FAAHPKMALDH1A1LMNAGAA
SCHEMBL24452536 0.77 ALDH1A1 (0.47) PKMALDH1A1LMNAGAA
SCHEMBL24453071 0.77 ALDH1A1 (0.40) PKMALDH1A1LMNAGAA
SCHEMBL24453069 0.75 ALDH1A1 (0.47) PKMALDH1A1LMNAGAA
SCHEMBL24452959 0.75 ALDH1A1 (0.39) PKMALDH1A1LMNAGAA
SCHEMBL24453072 0.75 ALDH1A1 (0.39) PKMALDH1A1LMNAGAA
SCHEMBL24452958 0.75 ALDH1A1 (0.45) PKMALDH1A1LMNAGAA
SCHEMBL24453064 0.75 ALDH1A1 (0.46) PKMALDH1A1LMNAGAA
SCHEMBL24452532 0.73 TP53 (0.32)
SCHEMBL24452535 0.71 TP53 (0.31)

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
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