⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2432292 | 1.00 | — | — | |
| SCHEMBL166907 | 0.80 | HTT (0.34) | — | |
| SCHEMBL15300618 | 0.77 | — | — | |
| Ethylene SCHEMBL4296949 | 0.77 | HTT (0.32) | — | |
| SCHEMBL4579591 | 0.70 | — | — | |
| Bicarbonate SCHEMBL15300619 | 0.66 | IDUA (0.30) | — | |
| SCHEMBL140774 | 0.65 | — | — | |
| SCHEMBL151132 | 0.65 | — | — | |
| Bicarbonate SCHEMBL1494562 | 0.63 | — | — | |
| SCHEMBL21072973 | 0.62 | — | — |
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-20110052953-A1 | NEGATIVE ELECTRODE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND METHOD FOR MANUFACTURING THE SAME | SONY CORPORATION (JP) | 2011-03-03 | — | — | US | disclosed |