SCHEMBL22970167

SCHEMBL22970167

C=C(C)C(=O)OC(CC)(CC)CCOC(CC)(CC)CCC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
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
SCHEMBL16291366 0.90 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL16291137 0.86 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL22970336 0.84 THRB (0.35) TSHRTHRBALDH1A1
SCHEMBL16291282 0.82 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL19019795 0.81 THRB (0.50) TSHRTHRBALDH1A1
SCHEMBL21424692 0.80 THRB (0.33) TSHRTHRB
SCHEMBL13260039 0.80 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL12941441 0.80 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL278099 0.78 ALDH1A1 (0.44) TSHRTHRBALDH1A1
SCHEMBL3853129 0.78 TSHR (0.49) 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
WO-2021025535-A1 COPOLYMER FOR POLYMER ELECTROLYTE, GEL POLYMER ELECTROLYTE COMPRISING SAME, AND LITHIUM SECONDARY BATTERY 주식회사 엘지화학 2021-02-11 WO disclosed