⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL229468 | 0.84 | — | — | |
| Iodide SCHEMBL3391561 | 0.81 | — | — | |
| Fluoride SCHEMBL22345969 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL965720 | 0.81 | — | — | |
| Bromide SCHEMBL3391854 | 0.81 | — | — | |
| Water SCHEMBL7125495 | 0.81 | — | — | |
| SCHEMBL28802115 | 0.78 | — | — | |
| SCHEMBL14244290 | 0.69 | TSHR (0.67) | — | |
| SCHEMBL17803326 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL16027869 | 0.69 | TSHR (0.33) | — |
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-8247112-B2 | Electrolyte, electrolyte solution for lithium-ion secondary battery comprising the electrolyte, and lithium-ion secondary battery using the electrolyte solution | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100003597-A1 | ELECTROLYTE, ELECTROLYTE SOLUTION FOR LITHIUM-ION SECONDARY BATTERY COMPRISING THE ELECTROLYTE, AND LITHIUM-ION SECONDARY BATTERY USING THE ELECTROLYTE SOLUTION | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2010-01-07 | — | — | US | disclosed |