⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7699777 | 0.56 | — | — | |
| SCHEMBL1679614 | 0.56 | — | — | |
| SCHEMBL2491272 | 0.56 | — | — | |
| SCHEMBL11438687 | 0.56 | — | — | |
| SCHEMBL3234893 | 0.54 | — | — | |
| SCHEMBL1953274 | 0.47 | — | — | |
| SCHEMBL588804 | 0.47 | — | — | |
| Tert-Butanol SCHEMBL3192041 | 0.47 | — | — | |
| SCHEMBL343654 | 0.45 | — | — | |
| SCHEMBL19947455 | 0.45 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030003358-A1 | Thermal runaway inhibitors | ENERGY, UNITED STATES, DEPARTMENT OF | 2003-01-02 | — | — | US | claimed |
| US-6746794-B2 | BATTERY HAVING A FLAME-RETARDING ELECTROLYTE WITH A CONDUCTIVITY GREATER THAN ABOUT 10-3 S/CM AT AMBIENT TEMPERATURE AND WHICH INCLUDES A COMPOUND THAT CHEMICALLY INTERFERES WITH FLAME PROPAGATION. | TECH DRIVE, INC | 2004-06-08 | — | — | US | disclosed |
| US-20030003358-A1 | Thermal runaway inhibitors | ENERGY, UNITED STATES, DEPARTMENT OF | 2003-01-02 | — | — | US | disclosed |