SCHEMBL8655979

SCHEMBL8655979

O=P(O)(O)CNCCO.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ANPEP P15144 2/20 0.31
S1PR2 O95136 5/20 0.30
S1PR4 O95977 5/20 0.30
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 0.30
S1PR5 Q9H228 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
SCHEMBL6902024 1.00 KDM4E (0.32) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL1463861 0.97
SCHEMBL10766689 0.92 S1PR2 (0.33) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL14356088 0.83 KDM4E (0.39) KDM4EMMP2THRBMAPK1HSD17B10
Glyphosate SCHEMBL11565161 0.78 MEN1 (0.34)
Diethanolamine SCHEMBL1831509 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Diethanolamine SCHEMBL75329 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Diethanolamine SCHEMBL1833785 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Diethanolamine SCHEMBL5026621 0.77 S1PR2 (0.34) KDM4EMMP2THRBMAPK1HSD17B10
Iminobis(Methylphosphonic Acid) SCHEMBL357369 0.76 KDM4E (0.44) KDM4EMMP2THRBMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1288009-A Method for prepn. of N-phosphonyl methyl amino carboxylic acid MONSANTO CO (US) 2001-03-21 CN disclosed
CN-1061980-C Process for preparing N-hydroxyalkylaminomethylphosphonic acid or salts thereof MONSANTO CO (US) 2001-02-14 CN disclosed
EP-0769013-B1 PROCESS FOR PREPARING N-PHOSPHONOMETHYLAMINO CARBOXYLIC ACIDS MONSANTO CO (US) 1998-10-21 EP disclosed
US-5703273-A FROM ALKANOLAMINE, FORMALDEHYDE AND A TRIALKYL PHOSPHITE MONSANTO COMPANY (US) 1997-12-30 US disclosed
CN-1156457-A Process for preparing N-phosphonomethylamino carboxylic acids MONSANTO CO (US) 1997-08-06 CN disclosed
EP-0769013-A1 PROCESS FOR PREPARING N-PHOSPHONOMETHYLAMINO CARBOXYLIC ACIDS MONSANTO COMPANY (US) 1997-04-23 EP disclosed
WO-1996001265-A1 PROCESS FOR PREPARING N-PHOSPHONOMETHYLAMINO CARBOXYLIC ACIDS MONSANTO COMPANY (US) 1996-01-18 WO disclosed