SCHEMBL10073143

SCHEMBL10073143

O=[PH](O)OC(O)(Cc1cccnc1)O[PH](=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.53
BTN3A1 O00481 1/20 0.53
PDE3A Q14432 1/20 0.53
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
NAPRT Q6XQN6 1/20 0.44
KCNA5 P22460 1/20 0.43
RIPK1 Q13546 1/20 0.40
RECQL P46063 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL15451137 0.85 FDPS (0.50) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL9885374 0.81 FDPS (0.61) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL5015606 0.79 FDPS (0.57) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL5436805 0.75 FDPS (0.65) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL14036411 0.74 CYP1A2 (0.53) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL12309777 0.73 FDPS (0.66) FDPSBTN3A1PDE3ACYP1A2CYP3A4
Picolamine SCHEMBL9074401 0.71 CHRNA7 (0.49) FDPSCYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL14036231 0.71 CYP1A2 (0.61) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL15516269 0.71 CYP1A2 (0.61) FDPSBTN3A1PDE3ACYP1A2CYP3A4
SCHEMBL7382527 0.71 FDPS (0.54) FDPSBTN3A1PDE3ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012054807-A2 VACCINES COMPRISING BISPHOSPHONATE AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-04-26 WO 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-20100151104-A1 Preservative System For Beverages Based On Combinations Of Trans-Cinnamic Acid, Lauric Arginate, And Dimethyl Dicarbonate PEPSICO, INC. (US) 2010-06-17 US disclosed