⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4947996 | 0.93 | CA1 (0.44) | — | |
| SCHEMBL12374717 | 0.86 | — | — | |
| SCHEMBL9771306 | 0.86 | — | — | |
| SCHEMBL979637 | 0.86 | — | — | |
| SCHEMBL9686986 | 0.77 | — | — | |
| SCHEMBL9686981 | 0.77 | — | — | |
| SCHEMBL28943338 | 0.76 | NAMPT (0.47) | — | |
| SCHEMBL30881494 | 0.76 | NAMPT (0.47) | — | |
| SCHEMBL29597368 | 0.76 | NAMPT (0.47) | — | |
| SCHEMBL14972809 | 0.76 | NAMPT (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110014504-A1 | LITHIUM SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-1892789-A1 | LITHIUM SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2008-02-27 | — | — | EP | disclosed |