⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29307237 | 0.83 | — | — | |
| SCHEMBL10057444 | 0.82 | — | — | |
| SCHEMBL12087683 | 0.82 | — | — | |
| SCHEMBL3362247 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL2525073 | 0.77 | — | — | |
| SCHEMBL12924065 | 0.77 | — | — | |
| SCHEMBL3366118 | 0.77 | — | — | |
| SCHEMBL31146756 | 0.75 | — | — | |
| SCHEMBL15827466 | 0.74 | — | — | |
| SCHEMBL2523642 | 0.74 | ADRB2 (0.32) | — |
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-20120214073-A1 | NON-AQUEOUS ELECTROLYTE SOLUTION FOR SECONDARY BATTERIES, AND SECONDARY BATTERY | ASAHI GLASS COMPANY, LIMITED (JP) | 2012-08-23 | — | — | US | disclosed |
| US-20120107701-A1 | ELECTROLYTE SOLUTION FOR CHARGEABLE DEVICE, ELECTROLYTE SOLUTION FOR LITHIUM ION SECONDARY BATTERY, AND SECONDARY BATTERY | ASAHI GLASS COMPANY, LIMITED (JP) | 2012-05-03 | — | — | US | disclosed |