⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL106968 | 0.82 | — | — | |
| SCHEMBL28299427 | 0.82 | — | — | |
| SCHEMBL10726556 | 0.82 | — | — | |
| SCHEMBL1264326 | 0.82 | — | — | |
| SCHEMBL21753933 | 0.82 | — | — | |
| SCHEMBL27757683 | 0.82 | — | — | |
| SCHEMBL28871344 | 0.82 | — | — | |
| SCHEMBL286246 | 0.82 | — | — | |
| SCHEMBL23300511 | 0.67 | — | — | |
| Bromide SCHEMBL8409590 | 0.67 | — | — |
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-7713506-B2 | Metal aminoboranes | LOS ALAMOS NATIONAL SECURITY (US) | 2010-05-11 | — | — | US | disclosed |
| EP-2158156-A1 | METAL AMINOBORANES | Los Alamos National Security, LLC (US) | 2010-03-03 | — | — | EP | disclosed |
| US-20080311017-A1 | Metal aminoboranes | ENERGY, U.S. DEPARTMENT OF | 2008-12-18 | — | — | US | disclosed |
| WO-2008143780-A1 | METAL AMINOBORANES | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2008-11-27 | — | — | WO | disclosed |