SCHEMBL2472093

SCHEMBL2472093

O=P(O)(O)C(N1CCCCC1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 1.00
ANPEP P15144 3/20 0.43
ERAP2 Q6P179 3/20 0.43
MMP2 P08253 3/20 0.41
MAPT P10636 3/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
DPP7 Q9UHL4 1/20 0.33
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
GAA P10253 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 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
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 1.00 FDPS (1.00) FDPSANPEPERAP2MMP2MAPT
SCHEMBL2203676 0.92 FDPS (0.85) FDPSANPEPERAP2MMP2MAPT
SCHEMBL203348 0.86 FDPS (0.75) FDPSANPEPERAP2MMP2
SCHEMBL3080928 0.86 FDPS (0.75) FDPSANPEPERAP2MMP2
SCHEMBL898693 0.86 FDPS (0.75) FDPSANPEPERAP2MMP2
SCHEMBL9300273 0.80 FDPS (0.64) FDPSANPEPERAP2MMP2MAPT
SCHEMBL9302016 0.80 FDPS (0.64) FDPSKMT2AMEN1ALDH1A1
SCHEMBL9300487 0.78 FDPS (0.63) FDPSANPEPERAP2TSHR
SCHEMBL10346154 0.78 FDPS (0.84) FDPS
SCHEMBL9356971 0.77 FDPS (0.62) FDPS

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119592529-A 2, 6-Pyridine dicarboxylic acid synthase PmDpa and application thereof 南通大学 2025-03-11 CN claimed
US-10631557-B2 Preservative system for acidic beverages based on sequestrants PEPSICO, INC. (US) 2020-04-28 US claimed
US-20170164642-A1 Preservative System For Acidic Beverages Based On Sequestrants PEPSICO, INC. 2017-06-15 US claimed
US-9560871-B2 Preservative system for acidic beverages based on sequestrants PEPSICO, INC. (US) 2017-02-07 US claimed
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-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US claimed
CN-119592529-A 2, 6-Pyridine dicarboxylic acid synthase PmDpa and application thereof 南通大学 2025-03-11 CN disclosed
CN-119592529-A 2, 6-Pyridine dicarboxylic acid synthase PmDpa and application thereof 南通大学 2025-03-11 CN disclosed
CN-119592529-A 2, 6-Pyridine dicarboxylic acid synthase PmDpa and application thereof 南通大学 2025-03-11 CN disclosed
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-20170164642-A1 Preservative System For Acidic Beverages Based On Sequestrants PEPSICO, INC. 2017-06-15 US disclosed
EP-0570380-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-11-24 EP disclosed
WO-1992011268-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed
US-5071840-A Certain heterocyclic substituted diphosphonate compounds pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism NORWICH EATON PHARMACEUTICALS, INC. (US) 1991-12-10 US disclosed
EP-0274158-A1 Novel heterocycle-substituted diphosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate matabolism Norwich Eaton Pharmaceuticals, Inc. (US) 1988-07-13 EP disclosed
US-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US disclosed
US-3957160-A Process for the prevention of precipitations in water or aqueous solutions HENKEL & CIE G.M.B.H. (DT) 1976-05-18 US disclosed