⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2017694 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL8105786 | 0.73 | — | — | |
| SCHEMBL497542 | 0.71 | — | — | |
| SCHEMBL3627783 | 0.69 | — | — | |
| SCHEMBL11341109 | 0.69 | — | — | |
| SCHEMBL4200104 | 0.65 | — | — | |
| SCHEMBL3950568 | 0.65 | — | — | |
| SCHEMBL3501866 | 0.65 | — | — | |
| Bicarbonate SCHEMBL28207950 | 0.65 | ALDH1A1 (0.60) | — | |
| SCHEMBL3629603 | 0.63 | — | — |
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-7695863-B2 | rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive | UBE INDUSTRIES, LTD. (JP) | 2010-04-13 | — | — | US | disclosed |
| US-20080102377-A1 | rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive | UBE INDUSTRIES, LTD (JP) | 2008-05-01 | — | — | US | disclosed |