SCHEMBL2467559

SCHEMBL2467559

O=P(O)(O)C(N(Cc1cccnc1)C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.59
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
BTN3A1 O00481 1/20 0.50
PDE3A Q14432 1/20 0.50
NAPRT Q6XQN6 1/20 0.45
LMNA P02545 1/20 0.45
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 2/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL10384589 0.79 ANPEP (0.48) KMT2A
SCHEMBL9546859 0.75 FDPS (0.66) FDPSBTN3A1PDE3ANAPRT
SCHEMBL31061112 0.75 FDPS (1.00) FDPSBTN3A1PDE3ANAPRTKDM4E
SCHEMBL2459769 0.75 FDPS (1.00) FDPSBTN3A1PDE3ANAPRTKDM4E
SCHEMBL1585411 0.74 FDPS (0.64) FDPSCHRNB2CHRNA4BTN3A1PDE3A
SCHEMBL1585406 0.74 FDPS (0.64) FDPSBTN3A1PDE3ANAPRT
SCHEMBL5661023 0.73 FDPS (0.62) FDPSBTN3A1PDE3ANAPRT
SCHEMBL7863043 0.71 FDPS (0.69) FDPSBTN3A1PDE3ANAPRTKDM4E
SCHEMBL10621420 0.71 FDPS (0.59) FDPSBTN3A1PDE3ANAPRTKDM4E
SCHEMBL3978963 0.71 FDPS (0.55) FDPSBTN3A1PDE3APKMKMT2A

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
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