SCHEMBL9008622

SCHEMBL9008622

C=CCOC(CC)(COC(=O)O)COC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.30

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
SCHEMBL10179585 0.77 THRB (0.32) THRB
SCHEMBL19074829 0.75 THRB (0.31) THRB
SCHEMBL20873863 0.72 MEN1 (0.31)
SCHEMBL19074931 0.72 MEN1 (0.31)
SCHEMBL26305599 0.70
SCHEMBL9487039 0.70 THRB (0.43) TSHRTHRBCYP3A4
Alcohol SCHEMBL18290914 0.70 TSHR (0.47) TSHRCYP3A4
Methyl Alcohol SCHEMBL27575508 0.69
SCHEMBL10776755 0.69 CYP3A4 (0.40) TSHRTHRBCYP3A4
SCHEMBL30690162 0.69 CYP3A4 (0.40) TSHRTHRBCYP3A4

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-5484903-A Process for the production of polysaccharide carbonates WOLFF WALSRODE AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed