⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27708658 | 1.00 | — | — | |
| SCHEMBL27728954 | 0.82 | GGT1 (0.35) | — | |
| SCHEMBL27728953 | 0.82 | GGT1 (0.35) | — | |
| SCHEMBL17715215 | 0.80 | — | — | |
| SCHEMBL13947584 | 0.80 | — | — | |
| SCHEMBL3367018 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL19873142 | 0.78 | FOLH1 (0.40) | — | |
| SCHEMBL1960483 | 0.78 | — | — | |
| SCHEMBL19849535 | 0.78 | — | — | |
| SCHEMBL880552 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101218706-A | Nonaqueous electrolyte solution, nonaqueous electrolyte secondary battery, and carbonate compound | MITSUBISHI CHEM CORP (JP) | 2008-07-09 | — | — | CN | disclosed |