SCHEMBL24453033

SCHEMBL24453033

O=C(CC12CC3CC(C1)CC(OCC1CO1)(C3)C2)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
THRB P10828 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
SCHEMBL13829082 0.80 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL13829241 0.80 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL11991284 0.79 LMNA (0.38) ALDH1A1THRB
SCHEMBL18470619 0.79 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL18470632 0.78 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL24452526 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL24465296 0.74 GAA (0.41) ALDH1A1THRB
SCHEMBL24453060 0.74 SCN9A (0.32) ALDH1A1THRB
SCHEMBL24452531 0.71 TSHR (0.32)
SCHEMBL24452504 0.71 ALDH1A1 (0.37) ALDH1A1

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