SCHEMBL17833253

SCHEMBL17833253

Nc1ccn(C2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.80
P2RY2 P41231 3/20 0.64
P2RY4 P51582 3/20 0.64
P2RY6 Q15077 2/20 0.64
TYMS P04818 1/20 0.55
POLG P54098 1/20 0.54
NT5E P21589 1/20 0.52

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
SCHEMBL12940502 1.00 POLB (0.80) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL18784963 1.00 POLB (0.80) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL48317 1.00 POLB (0.80) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL1971070 1.00 POLB (0.80) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL12595477 1.00 POLB (0.80) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL23751346 1.00 POLB (0.80) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL29099745 0.99 POLB (0.78) POLBP2RY2P2RY4P2RY6TYMS
Triphosphate SCHEMBL27909398 0.95 POLB (0.79) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL28165218 0.93 POLB (0.70) POLBP2RY2P2RY4P2RY6TYMS
SCHEMBL18745522 0.93 POLB (0.75) POLBP2RY2P2RY4P2RY6TYMS

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
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
WO-2016094682-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed
WO-2016094702-A2 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2016-06-16 WO disclosed