⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5963258 | 0.98 | — | — | |
| SCHEMBL5964243 | 0.98 | — | — | |
| SCHEMBL5963236 | 0.98 | — | — | |
| SCHEMBL5963427 | 0.95 | — | — | |
| SCHEMBL5963766 | 0.87 | DGAT1 (0.31) | — | |
| SCHEMBL5963429 | 0.86 | CA1 (0.32) | — | |
| SCHEMBL27487215 | 0.85 | — | — | |
| SCHEMBL5963224 | 0.85 | RAD52 (0.31) | — | |
| SCHEMBL5963827 | 0.83 | RAD52 (0.38) | — | |
| SCHEMBL5963835 | 0.82 | CYP1A2 (0.38) | — |
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-20060172201-A1 | Non-aqueous electrolyte and lithium secondary battery using the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2006-08-03 | — | — | US | disclosed |
| EP-1357628-A1 | NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2003-10-29 | — | — | EP | disclosed |