SCHEMBL2847253

SCHEMBL2847253

NC(=O)OC(OC(N)=O)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.43
CA1 P00915 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
PGD P52209 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
LAP3 P28838 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
SCHEMBL23197064 0.78 CA4 (0.43) CA4CA1CA5ACA5BLMNA
SCHEMBL28076513 0.74 CA4 (0.40) CA4CA1CA5ACA5BLMNA
SCHEMBL4551584 0.63 LMNA (0.39) CA4CA1CA5ACA5BLMNA
SCHEMBL25660850 0.63
SCHEMBL11317946 0.61
Aminocarbonyl Dihydrogen Phosphate SCHEMBL50374 0.61
SCHEMBL7769672 0.61
SCHEMBL11616105 0.61 ALDH1A1 (0.40) CA4LMNATSHRPGDANPEP
SCHEMBL8434615 0.61
SCHEMBL6242978 0.61 CA4 (0.67) CA4CA1CA5ACA5BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243591-A FROM A POLYVINYL CYCLIC AMIDE, FORMALDEHYDE AND PHOSPHOROUS ACID; METAL SEQUESTERANTS, ANTISCALING AGENTS IN WATER TREATMENT MONSANTO COMPANY (US) 1981-01-06 US claimed
US-4079006-A USING A PHOSPHONOMETHYLENE-AMINO CARBOXYLATE MONSANTO COMPANY (US) 1978-03-14 US claimed
US-8505626-B2 α-Amino acid phosphonic acid compounds, method of preparation of use thereof DEQUEST AG (CH) 2013-08-13 US disclosed
EP-2054423-B1 ALPHA-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF DEQUEST AG (CH) 2012-07-18 EP disclosed
US-20100186961-A1 ALPHA AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION OF USE THEREOF THERMPHOS TRADING GMBH 2010-07-29 US disclosed
EP-2054423-A1 ALPHA-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF Thermphos Trading GmbH (CH) 2009-05-06 EP disclosed
WO-2008017339-A1 α-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF THERMPHOS TRADING GMBH (CH) 2008-02-14 WO disclosed
EP-1887011-A1 Alpha amino acid phosphonic acid compounds, method of preparation and use thereof Thermphos Trading GmbH (CH) 2008-02-13 EP disclosed
US-4243591-A FROM A POLYVINYL CYCLIC AMIDE, FORMALDEHYDE AND PHOSPHOROUS ACID; METAL SEQUESTERANTS, ANTISCALING AGENTS IN WATER TREATMENT MONSANTO COMPANY (US) 1981-01-06 US disclosed
US-4079006-A USING A PHOSPHONOMETHYLENE-AMINO CARBOXYLATE MONSANTO COMPANY (US) 1978-03-14 US disclosed
US-4079006-A USING A PHOSPHONOMETHYLENE-AMINO CARBOXYLATE MONSANTO COMPANY (US) 1978-03-14 US disclosed