⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL980988 | 0.77 | CA1 (0.41) | — | |
| SCHEMBL441723 | 0.73 | — | — | |
| SCHEMBL12616582 | 0.71 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL979754 | 0.71 | — | — | |
| SCHEMBL981175 | 0.71 | — | — | |
| SCHEMBL576599 | 0.71 | — | — | |
| SCHEMBL979122 | 0.71 | AKR1B1 (0.33) | — | |
| SCHEMBL5346800 | 0.70 | — | — | |
| SCHEMBL20079554 | 0.70 | — | — | |
| SCHEMBL8931350 | 0.69 | SMN1; SMN2 (0.34) | — |
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-20110014504-A1 | LITHIUM SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-01-20 | — | — | US | disclosed |
| US-20080311478-A1 | Lithium Secondary Battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-12-18 | — | — | US | disclosed |
| EP-1892789-A1 | LITHIUM SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2008-02-27 | — | — | EP | disclosed |