SCHEMBL7172158

SCHEMBL7172158

C=C(C)C(=O)OC(C)(OCC)OC(C)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL10834615 0.84 THRB (0.42) TSHRTHRBALDH1A1
SCHEMBL5450323 0.80 ALDH1A1 (0.40) TSHRTHRBALDH1A1
SCHEMBL10872187 0.78 THRB (0.38) TSHRTHRBALDH1A1
SCHEMBL9363452 0.76 MAPK1 (0.37) TSHR
SCHEMBL27885338 0.75 THRB (0.36) TSHRTHRBALDH1A1
SCHEMBL27773746 0.74 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL29059847 0.74 THRB (0.40) TSHRTHRBALDH1A1
SCHEMBL1897241 0.73 THRB (0.47) TSHRTHRBALDH1A1
SCHEMBL17208946 0.72 THRB (0.36) TSHRTHRBALDH1A1
SCHEMBL6571060 0.72 ALDH1A1 (0.50) TSHRTHRBALDH1A1

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-1089694-B1 FAECAL COLLECTOR WITH FLEXIBLE SKIN ATTACHMENT MEANS PROCTER & GAMBLE (US) 2003-04-09 EP claimed