SCHEMBL28948434

SCHEMBL28948434

C=CC(=O)OCC=CC.C=CCCOC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL491231 0.87
SCHEMBL237830 0.87
SCHEMBL27947504 0.87 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Formaldehyde SCHEMBL27599679 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL27355303 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Methane SCHEMBL27884431 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL28181465 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Butadiene SCHEMBL28164245 0.83 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL674235 0.83 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30584 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119340518-A Lithium secondary battery and assembly 大金工业株式会社 2025-01-21 CN disclosed
CN-113261140-B Electrolyte for lithium ion secondary battery, and assembly 大金工业株式会社 2024-12-13 CN disclosed
CN-114008824-B Alkali metal electrode treatment agent, electrolyte for alkali metal secondary battery, alkali metal electrode, alkali metal secondary battery, and module 大金工业株式会社 2024-11-08 CN disclosed
CN-113508485-B Electrolyte, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2024-08-20 CN disclosed
CN-113490674-B Compound, additive for electrolyte, electrochemical device, lithium ion secondary battery, and module 大金工业株式会社 2024-06-07 CN disclosed
CN-115668571-A Electrolyte solution, electrochemical device, lithium ion secondary battery, module, and compound 大金工业株式会社 2023-01-31 CN disclosed