SCHEMBL11242416

SCHEMBL11242416

C#CCOP(=O)(O)OCC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PPARD Q03181 2/20 0.39
ACHE P22303 3/20 0.38
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
Hydrochloric Acid SCHEMBL11246454 0.98 TSHR (0.39) TSHRPPARDACHETP53TDP1
SCHEMBL6423255 0.89 ACHE (0.39) TSHRACHE
Hydrochloric Acid SCHEMBL11243597 0.86 ACHE (0.38) TSHRACHE
Diethyl Hydrogen Phosphate SCHEMBL27405765 0.81 TSHR (0.50) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL27294237 0.81 TSHR (0.56) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL93056 0.81
SCHEMBL29254125 0.80
Prop-2-Ynyl Diphosphate SCHEMBL13738981 0.79 BTN3A1 (0.41) PPARDACHE
Diethyl Hydrogen Phosphate SCHEMBL2447154 0.79 TSHR (0.48) TSHRPPARDACHETP53TDP1
SCHEMBL4715911 0.78 TSHR (0.41) TSHRPPARDACHETP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433964-B Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2023-02-17 CN disclosed
CN-110495042-B Electrolyte for lithium ion secondary battery, and module 大金工业株式会社 2022-12-16 CN disclosed
CN-114730876-A Electrode and electrochemical device 大金工业株式会社 2022-07-08 CN disclosed
US-4327040-A BASIC CATALYZED REACTION OF PROPARGYL ALCOHOL WITH A PHOSPHORIC ACID CHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed