Triphosphate

Triphosphate

SCHEMBL8436875

C=C(C)CCNc1cc[nH]c(=O)n1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.40
P2RY2 P41231 6/20 0.36
P2RY4 P51582 2/20 0.31
P2RY6 Q15077 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
Triphosphate SCHEMBL8440660 0.85 P2RY2 (0.40) P2RY2P2RY4P2RY6
Triphosphate SCHEMBL8435664 0.83 P2RY2 (0.45) P2RY2
Triphosphate SCHEMBL8441046 0.82 P2RY2 (0.35) P2RY2P2RY4P2RY6
Triphosphate SCHEMBL8438673 0.79 HCAR3 (0.35) P2RY2P2RY6
Triphosphate SCHEMBL7818664 0.78 P2RY2 (0.35) P2RY2P2RY4P2RY6
Triphosphate SCHEMBL8441475 0.77 FNTA (0.32) BTN3A1P2RY2
Triphosphate SCHEMBL8440665 0.77 FNTA (0.46)
Triphosphate SCHEMBL8437845 0.76 FNTA (0.48)
Triphosphate SCHEMBL8436500 0.76 FNTA (0.48)
Triphosphate SCHEMBL29455699 0.75

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