SCHEMBL7723290

SCHEMBL7723290

C#CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.41
MVD P53602 4/20 0.37
FDPS P14324 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FNTA P49354 3/20 0.33
PGGT1B P53609 2/20 0.33
FNTB P49356 1/20 0.33
ACHE P22303 1/20 0.33

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
Prop-2-Ynyl Diphosphate SCHEMBL1651692 0.96 BTN3A1 (0.44) BTN3A1MVDFDPSBLMTDP1
Prop-2-Ynyl Diphosphate SCHEMBL13738981 0.85 BTN3A1 (0.41) BTN3A1MVDFNTAPGGT1BFNTB
SCHEMBL28992521 0.80 ACHE (0.35) BTN3A1ACHE
Hydrochloric Acid SCHEMBL11243597 0.80 ACHE (0.38) ACHE
SCHEMBL11952601 0.79 ACHE (0.41) BTN3A1ACHE
SCHEMBL3262560 0.77
SCHEMBL29174378 0.75 BTN3A1 (0.57) BTN3A1MVDFDPSBLMTDP1
SCHEMBL28278159 0.75 BTN3A1 (0.48) BTN3A1MVDFDPSBLMTDP1
Hydrochloric Acid SCHEMBL11244451 0.75 ACHE (0.38) FDPSBLMTDP1ACHE
Hydrochloric Acid SCHEMBL11244454 0.75 ACHE (0.38) FDPSBLMTDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399335-B1 MIXING POLYMERASE AND NUCLEOSIDE TRIPHOSPHATE HAVING A GAMMA PHOSPHATE PHOSPHOESTER-LINKED FUNCTIONAL GROUP, INCUBATING SO THAT POLYMERASE CATALYZES CLEAVAGE BETWEEN ALPHA AND BETA PHOSPHATES AND LIBERATES PYROPHOSPHATE WITH FUNCTIONAL GROUP ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-06-04 US disclosed
WO-2001048235-A2 GAMMA-PHOSPHOESTER NUCLEOSIDE TRIPHOSPHATES ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2001-07-05 WO disclosed