2-Cyanoethyl Diphosphate

2-Cyanoethyl Diphosphate

SCHEMBL3369031

N#CCCOP(=O)(O)OP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.48
MVD P53602 4/20 0.44
P2RY14 Q15391 1/20 0.36
P2RY2 P41231 1/20 0.36
P2RY4 P51582 1/20 0.36
FDPS P14324 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GGPS1 O95749 2/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL497349 0.87 P2RY14 (0.34) BTN3A1P2RY14P2RY2P2RY4TDP1
SCHEMBL11952574 0.84 BTN3A1 (0.38) BTN3A1MVDP2RY14P2RY2P2RY4
Water SCHEMBL6908198 0.82 LPAR3 (0.41) TDP1
SCHEMBL22652 0.82
Water SCHEMBL11512537 0.80 LPAR3 (0.40) TDP1
SCHEMBL6998234 0.80 LPAR3 (0.40) TDP1
SCHEMBL7216239 0.80 LPAR3 (0.40) TDP1
SCHEMBL6653137 0.80 LPAR3 (0.40) TDP1
SCHEMBL28830258 0.80 LPAR3 (0.40) TDP1
SCHEMBL7531145 0.79 BTN3A1 (0.61) BTN3A1MVDFDPSBLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056795-A1 NOVEL SYNTHETIC DINUCLEOSIDE POLYPHOSPHATE ANALOGS AND THEIR USE AS NEW THERAPEUTIC AND/OR DIAGNOSTIC MODALITIES ZATA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
EP-1910394-A2 MODIFIED OLIGONUCLEOTIDES CONTAINING DIPHOSPHODIESTER INTERNUCLEOTIDE LINKAGES The Board of Governors for Higher Education State of Rhode Island And Providence Plantations (US) 2008-04-16 EP disclosed
WO-2007030227-A2 MODIFIED OLIGONUCLEOTIDES CONTAINING DIPHOSPHODIESTER INTERNUCLEOTIDE LINKAGES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, (US) 2007-03-15 WO disclosed
EP-1054933-B1 CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES LUMIGEN INC (US) 2006-09-06 EP disclosed
EP-0794987-B1 CHEMILUMINESCENT DIALKYL-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS, METHODS OF SYNTHESIS AND USE LUMIGEN INC (US) 2002-09-25 EP disclosed
US-6284899-B1 USEFUL FOR THE DETECTION OF TRIGGERING AGENTS INCLUDING ENZYMES. THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY 2001-09-04 US disclosed
US-5892064-A IMMUNOASSAY WITH BONDING TO MOLECULES LUMIGEN, INC. (US) 1999-04-06 US disclosed
US-5886238-A 1-ALKOXY-1-(3-SUBSTITUTED PHENYL)-2,2-DIALKYLETHENES; STABILITY; DETECTION OF ENZYMES; IMMUNOASSAYS LUMIGEN, INC. (US) 1999-03-23 US disclosed
US-5840963-A HALOGEN-SUBSTITUTED HYDROQUINONES HAVING ONE HYDROXY GROUP PROTECTED BY PHOSPHATE GROUP LUMIGEN, INC. (US) 1998-11-24 US disclosed
US-5772926-A ANALYSIS OF HYDROLYTIC ENZYMES AND ENZYME INHIBITORS; LABELED BINDING PAIRS LUMIGEN, INC. (US) 1998-06-30 US disclosed
EP-0794987-A4 CHEMILUMINESCENT DIALKYL-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS, METHODS OF SYNTHESIS AND USE LUMIGEN INC (US) 1998-02-25 EP disclosed
EP-0794987-A1 CHEMILUMINESCENT DIALKYL-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS, METHODS OF SYNTHESIS AND USE LUMIGEN, INC. (US) 1997-09-17 EP disclosed
US-5578253-A Chemiluminescent dialkyl-substituted 1,2-dioxetane compounds, methods of synthesis and use LUMIGEN, INC. (US) 1996-11-26 US disclosed
WO-1996016137-A1 CHEMILUMINESCENT DIALKYL-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS, METHODS OF SYNTHESIS AND USE LUMIGEN, INC. (US) 1996-05-30 WO disclosed