Methyl Phosphonate

Methyl Phosphonate

SCHEMBL28267453

C=CC(=O)CCN(C)C.CP(=O)(O)O

nearest known ligand 0.38

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.32
ANPEP P15144 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
SCHEMBL1059458 0.89
SCHEMBL27762559 0.82 ALDH1A1 (0.39) ALDH1A1TSHR
Propionic Acid SCHEMBL11405066 0.80 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL11703841 0.77 TSHR (0.42) ALDH1A1TSHR
SCHEMBL29072319 0.75 KDM4A (0.43) ALDH1A1TSHR
SCHEMBL9815137 0.73 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL11410181 0.73 ALDH1A1 (0.36) ALDH1A1TSHR
Methyl Phosphonate SCHEMBL27659107 0.72 TSHR (0.47) ALDH1A1TSHRCA2
Phosphoric Acid SCHEMBL21333992 0.70 TSHR (0.50) ALDH1A1TSHR
SCHEMBL10757549 0.68 ALDH1A1 (0.48) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153947-A By using the alkalinity and neutral cleaning, disinfection and bactericidal composition of the reduction atomization of high molecular weight water-in-oil emulsion polymer 埃科莱布美国股份有限公司 2019-01-04 CN claimed
CN-109153948-A By using acid clean, disinfection and the bactericidal composition of the reduction atomization of high molecular weight water-in-oil emulsion polymer 埃科莱布美国股份有限公司 2019-01-04 CN claimed
CN-105960440-A COMPOSITIONS FOR HIGH SPEED PRINTING OF CONDUCTIVE MATERIALS FOR ELECTRONIC CIRCUITRY TYPE APPLICATIONS, AND METHODS RELATING E.I.内穆尔杜邦公司 2016-09-21 CN disclosed