SCHEMBL31155729

SCHEMBL31155729

C=C(C)C(=O)OCCOCC.CCOCCC=C(C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.68
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Methacrylic Acid SCHEMBL9299924 0.88 THRB (0.46) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL30039609 0.86 THRB (0.52) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL6547127 0.86 THRB (0.47) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL6547117 0.86 THRB (0.47) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL289016 0.84 ALDH1A1 (0.45) THRBTSHRALDH1A1
SCHEMBL4577548 0.84 ALDH1A1 (0.45) THRBTSHRALDH1A1
SCHEMBL33662 0.84 ALDH1A1 (0.45) THRBTSHRALDH1A1
Methacrylic Acid SCHEMBL8041672 0.84 THRB (0.89) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL289014 0.84 ALDH1A1 (0.45) THRBTSHRALDH1A1
SCHEMBL33746 0.84 ALDH1A1 (0.43) THRBTSHRALDH1A1CYP2D6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112531163-B Binder aqueous solution for lithium ion battery, slurry for lithium ion battery negative electrode, negative electrode for lithium ion battery, and lithium ion battery 荒川化学工业株式会社 2025-02-18 CN disclosed
CN-111863601-B Method for manufacturing semiconductor device and photoresist 台湾积体电路制造股份有限公司 2024-08-27 CN disclosed