⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1644420 | 0.70 | AR (0.40) | — | |
| SCHEMBL265547 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL11459912 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL3383357 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL3383359 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL11498475 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL9202272 | 0.60 | LMNA (0.44) | — | |
| SCHEMBL11535360 | 0.60 | — | — | |
| SCHEMBL11623936 | 0.60 | — | — | |
| SCHEMBL11451137 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2122739-A1 | NITROXIDES FOR LITHIUM-ION BATTERIES | BASF SE (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008110466-A1 | NITROXIDES FOR LITHIUM-ION BATTERIES | BASF SE (CH) | 2008-09-18 | — | — | WO | disclosed |