⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4872411 | 0.90 | — | — | |
| Fluoride SCHEMBL28937464 | 0.83 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL99441 | 0.83 | — | — | |
| Fluoride SCHEMBL22345959 | 0.83 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL2113850 | 0.83 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL21513 | 0.83 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL13581787 | 0.83 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL2116095 | 0.83 | — | — | |
| Fluoride SCHEMBL3420981 | 0.83 | ALDH1A1 (0.36) | — | |
| Dioxane SCHEMBL2947014 | 0.81 | TTR (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110003277-A1 | Dioxetane-Nanoparticle Assemblies For Energy Transfer Detection Systems, Methods Of Making The Assemblies, And Methods Of Using The Assemblies in Bioassays | APPLIED BIOSYSTEMS, LLC (US) | 2011-01-06 | — | — | US | disclosed |
| EP-1787365-A2 | DIOXETANE-NANOPARTICLE ASSEMBLIES FOR ENERGY TRANSFER DETECTION SYSTEMS, METHODS OF MAKING THE ASSEMBLIES, AND METHODS OF USING THE ASSEMBLIES IN BIOASSAYS | Applera Corporation (US) | 2007-05-23 | — | — | EP | disclosed |
| US-20060216768-A1 | Dioxetane-nanoparticle assemblies for energy transfer detection systems, methods of making the assemblies, and methods of using the assemblies in bioassays | APPLIED BIOSYSTEMS, LLC | 2006-09-28 | — | — | US | disclosed |
| WO-2006029302-A2 | DIOXETANE-NANOPARTICLE ASSEMBLIES FOR ENERGY TRANSFER DETECTION SYSTEMS, METHODS OF MAKING THE ASSEMBLIES, AND METHODS OF USING THE ASSEMBLIES IN BIOASSAYS | APPLERA CORPORATION (US) | 2006-03-16 | — | — | WO | disclosed |