⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL157786 | 1.00 | — | — | |
| SCHEMBL29385087 | 1.00 | — | — | |
| SCHEMBL29780538 | 0.82 | — | — | |
| SCHEMBL31240187 | 0.82 | — | — | |
| SCHEMBL30648863 | 0.82 | — | — | |
| SCHEMBL29364129 | 0.82 | — | — | |
| SCHEMBL8195808 | 0.82 | — | — | |
| SCHEMBL34464658 | 0.82 | — | — | |
| SCHEMBL6739179 | 0.82 | — | — | |
| Magnesium SCHEMBL29575070 | 0.82 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8804898-B2 | Special nuclear material simulation device | BABCOCK & WILCOX TECHNICAL SERVICES Y-12, LLC (US) | 2014-08-12 | — | — | US | disclosed |
| WO-2011008732-A1 | SPECIAL NUCLEAR MATERIAL SIMULATION DEVICE | BABCOCK & WILCOX TECHNICAL SERVICES Y-12, LLC (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015914-A1 | SPECIAL NUCLEAR MATERIAL SIMULATION DEVICE | BABCOCK & WILCOX TECHNICAL SERVICES Y-12, LLC (US) | 2011-01-20 | — | — | US | disclosed |