⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27737499 | 0.80 | — | — | |
| SCHEMBL11614671 | 0.74 | — | — | |
| SCHEMBL28281556 | 0.70 | — | — | |
| SCHEMBL28186249 | 0.70 | — | — | |
| SCHEMBL497317 | 0.65 | — | — | |
| SCHEMBL17227553 | 0.65 | — | — | |
| SCHEMBL27924710 | 0.64 | CYP2C19 (0.45) | — | |
| SCHEMBL276169 | 0.64 | — | — | |
| SCHEMBL27769864 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL10971902 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3086398-A1 | NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE RECHARGEABLE BATTERY USING SAME | Mitsubishi Chemical Corporation (JP) | 2016-10-26 | — | — | EP | disclosed |