⚠ 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 | |
|---|---|---|---|---|
| Hno SCHEMBL14889227 | 0.78 | — | — | |
| Hno SCHEMBL2771 | 0.78 | — | — | |
| Hno SCHEMBL7785053 | 0.78 | — | — | |
| SCHEMBL23151 | 0.78 | — | — | |
| Hno SCHEMBL4802045 | 0.67 | — | — | |
| Hno SCHEMBL11817275 | 0.67 | — | — | |
| Hno SCHEMBL607906 | 0.67 | — | — | |
| Hno SCHEMBL7263859 | 0.67 | — | — | |
| Water SCHEMBL250793 | 0.67 | — | — | |
| Hno SCHEMBL21980755 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100181527-A1 | NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES | CIBA CORPORATION | 2010-07-22 | — | — | US | disclosed |
| EP-2162937-A1 | NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES | BASF SE (DE) | 2010-03-17 | — | — | EP | disclosed |
| WO-2008155247-A1 | NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES | BASF SE (CH) | 2008-12-24 | — | — | WO | disclosed |