SCHEMBL2471009

SCHEMBL2471009

O=P(O)(O)C(N(C1CCCCC1)C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.72
METAP1 P53582 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 2/20 0.37
ADH1A P07327 3/20 0.34
MMP2 P08253 5/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
ADH1C P00326 2/20 0.34
ADH1B P00325 1/20 0.34
MMP8 P22894 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PHGDH O43175 1/20 0.32

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
SCHEMBL6548861 0.81 FDPS (0.59) FDPSMETAP1ANPEPERAP2MMP2
SCHEMBL8983626 0.81 FDPS (0.59) FDPSMETAP1ANPEPERAP2MMP2
Water SCHEMBL8983604 0.79 FDPS (0.57) FDPSMETAP1ANPEPERAP2MMP2
Phosphoric Acid SCHEMBL28334275 0.72 FDPS (0.54) FDPSADH1AMMP2CA12CA1
SCHEMBL6687189 0.70 FDPS (0.52) FDPSMETAP1ADH1AMMP2CA12
SCHEMBL3068146 0.70 FDPS (0.52) FDPSMETAP1ADH1AMMP2CA12
Phosphoric Acid SCHEMBL29166215 0.68 FDPS (0.50) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL29166159 0.68 FDPS (0.50) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL727986 0.68 FDPS (0.50) FDPSADH1AMMP2CA12CA1
Phosphoric Acid SCHEMBL29166211 0.68 FDPS (0.50) FDPSADH1AMMP2CA12CA1

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
EP-2369948-A1 PRESERVATIVE SYSTEM FOR ACIDIC BEVERAGES BASED ON SEQUESTRANTS PepsiCo, Inc. (US) 2011-10-05 EP claimed
WO-2010078069-A1 PRESERVATIVE SYSTEM FOR ACIDIC BEVERAGES BASED ON SEQUESTRANTS PEPSICO, INC. (US) 2010-07-08 WO claimed
US-20100166917-A1 Preservative System For Acidic Beverages Based On Sequestrants PEPSICO, INC. (US) 2010-07-01 US claimed
US-10631557-B2 Preservative system for acidic beverages based on sequestrants PEPSICO, INC. (US) 2020-04-28 US disclosed
US-20170164642-A1 Preservative System For Acidic Beverages Based On Sequestrants PEPSICO, INC. 2017-06-15 US disclosed
US-9560871-B2 Preservative system for acidic beverages based on sequestrants PEPSICO, INC. (US) 2017-02-07 US disclosed
EP-2369948-A1 PRESERVATIVE SYSTEM FOR ACIDIC BEVERAGES BASED ON SEQUESTRANTS PepsiCo, Inc. (US) 2011-10-05 EP disclosed
WO-2010078069-A1 PRESERVATIVE SYSTEM FOR ACIDIC BEVERAGES BASED ON SEQUESTRANTS PEPSICO, INC. (US) 2010-07-08 WO disclosed
US-20100166917-A1 Preservative System For Acidic Beverages Based On Sequestrants PEPSICO, INC. (US) 2010-07-01 US disclosed
US-6762317-B2 AMINOMETHYLPHOSPHONIC ACID IS CONTACTED WITH WATER, AN ALCOHOL, A PHENOL AND AN OXIDIZING GAS IN THE PRESENCE OF A CATALYST MONSANTO COMPANY 2004-07-13 US disclosed
US-6218570-B1 CONTACTING AMINOMETHYLPHOSPHONIC ACID WITH WATER, ALCOHOL OR PHENOL; CATALYTIC OXIDATION WITH GAS; FORMYLATION MONSANTO COMPANY 2001-04-17 US disclosed