⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24297657 | 0.67 | — | — | |
| SCHEMBL27428552 | 0.62 | — | — | |
| SCHEMBL28184284 | 0.62 | — | — | |
| SCHEMBL27797982 | 0.57 | — | — | |
| SCHEMBL28264507 | 0.57 | — | — | |
| SCHEMBL22471686 | 0.48 | — | — | |
| SCHEMBL2302068 | 0.45 | — | — | |
| SCHEMBL16539 | 0.42 | — | — | |
| Benzene SCHEMBL4243921 | 0.41 | TAAR1 (0.38) | — | |
| Tert-Butylamine SCHEMBL28391983 | 0.41 | FDPS (0.31) | — |
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-20220216517-A1 | ELECTROLYTE FOR LITHIUM-ION BATTERY, LITHIUM-ION BATTERY, BATTERY MODULE, BATTERY PACK, AND APPARATUS | CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) | 2022-07-07 | — | — | US | disclosed |