⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7697838 | 0.75 | CYP19A1 (0.35) | — | |
| SCHEMBL4952376 | 0.75 | BRD4 (0.31) | — | |
| SCHEMBL4954455 | 0.72 | CYP19A1 (0.31) | — | |
| SCHEMBL7070545 | 0.71 | ELANE (0.46) | — | |
| SCHEMBL13249589 | 0.69 | — | — | |
| SCHEMBL4952033 | 0.68 | — | — | |
| SCHEMBL2138228 | 0.68 | — | — | |
| SCHEMBL2993416 | 0.64 | — | — | |
| SCHEMBL3026097 | 0.64 | ELANE (0.44) | — | |
| SCHEMBL4954859 | 0.64 | — | — |
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 |