SCHEMBL8439797

SCHEMBL8439797

CC(C)C(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.51
P2RY2 P41231 16/20 0.50
P2RY4 P51582 10/20 0.50
POLA1 P09884 1/20 0.45
P2RY6 Q15077 6/20 0.44

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
SCHEMBL8441083 0.90 DUT (0.52) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL150273 0.87 DUT (0.52) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL7745800 0.87 DUT (0.55) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL1129336 0.87 DUT (0.52) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL8436034 0.86 DUT (0.52) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL16670190 0.85 DUT (0.51) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL8441386 0.84 DUT (0.51) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL1129230 0.84 DUT (0.54) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL14855438 0.84 DUT (0.50) DUTP2RY2P2RY4POLA1P2RY6
SCHEMBL8440925 0.84 P2RY2 (0.60) P2RY2P2RY4P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US claimed
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US disclosed
US-5639653-A ADMINISTERING MONOALKYL- OR ALKENYL-PYROPHOSPHATE TO MAMMAL TO STIMULATE LYMPHOCYTE CELL GROWTH AND ENHANCE IMMUNE RESPONSE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSTIY (US) 1997-06-17 US disclosed