⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5569790 | 0.87 | CA2 (0.33) | — | |
| SCHEMBL5574473 | 0.80 | CA2 (0.34) | — | |
| SCHEMBL577408 | 0.78 | ADAM17 (0.33) | — | |
| SCHEMBL30540732 | 0.77 | CA2 (0.33) | — | |
| SCHEMBL2106316 | 0.77 | ADAM17 (0.34) | — | |
| SCHEMBL29093947 | 0.75 | MAOA (0.30) | — | |
| SCHEMBL5574470 | 0.73 | — | — | |
| SCHEMBL576671 | 0.72 | ADAM17 (0.33) | — | |
| SCHEMBL5573377 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL5572813 | 0.72 | CA2 (0.41) | — |
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-9496585-B2 | Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2016-11-15 | — | — | US | disclosed |
| US-20130224578-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-08-29 | — | — | US | disclosed |
| WO-2012053485-A1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE BATTERY USING SAME | 三菱化学株式会社 (JP) | 2012-04-26 | — | — | WO | disclosed |