⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14924578 | 1.00 | — | — | |
| SCHEMBL319009 | 0.84 | — | — | |
| SCHEMBL1276463 | 0.72 | — | — | |
| SCHEMBL2986849 | 0.69 | — | — | |
| SCHEMBL2134667 | 0.68 | PGK1 (0.30) | — | |
| SCHEMBL2991708 | 0.65 | — | — | |
| SCHEMBL318983 | 0.64 | — | — | |
| SCHEMBL15301253 | 0.64 | — | — | |
| SCHEMBL15301133 | 0.63 | — | — | |
| SCHEMBL588727 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120225359-A1 | Electrolytes in Support of 5 V Li ion Chemistry | U.S. GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2012-09-06 | — | — | US | disclosed |
| US-20120009485-A1 | ELECTROLYTES IN SUPPORT OF 5V LI ION CHEMISTRY | U.S. GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2012-01-12 | — | — | US | disclosed |