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SCHEMBL26568227

SCHEMBL26568227

C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NC1(C)CC(NC(=O)OCCOC(=O)OCCOC(=O)OC)CC(C)(C)C1)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL26550099 0.94 THRB (0.33) TSHRTHRB
SCHEMBL26299068 0.91 THRB (0.31) TSHRTHRB
SCHEMBL26034102 0.90 TSHR (0.41) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL26755158 0.89 THRB (0.30) THRB
SCHEMBL19215420 0.89 TSHR (0.37) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL24511907 0.89 TSHR (0.40) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL26568225 0.88 TSHR (0.35) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL26550107 0.88 GAA (0.35) THRBMAPK1SMN1; SMN2
SCHEMBL26550528 0.84 ALDH1A1 (0.35) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL17930537 0.83 TSHR (0.42) TSHRTHRBALDH1A1TP53CYP3A4

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-20230335791-A1 COMPOSITION FOR ELECTROLYTE OF LITHIUM SECONDARY BATTERY, GEL POLYMER ELECTROLYTE, AND LITHIUM SECONDARY BATTERY INCLUDING GEL POLYMER ELECTROLYTE LG ENERGY SOLUTION, LTD. (KR) 2023-10-19 — — US disclosed