⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6031135 | 0.84 | — | — | |
| SCHEMBL79251 | 0.74 | — | — | |
| SCHEMBL25171906 | 0.72 | — | — | |
| SCHEMBL22200239 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL25171960 | 0.70 | — | — | |
| SCHEMBL29434214 | 0.69 | — | — | |
| SCHEMBL8747428 | 0.69 | — | — | |
| SCHEMBL6433212 | 0.69 | — | — | |
| SCHEMBL25168590 | 0.65 | — | — | |
| SCHEMBL25168622 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200220222-A1 | NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-07-09 | — | — | US | disclosed |