⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL320528 | 0.83 | — | — | |
| SCHEMBL322665 | 0.82 | — | — | |
| SCHEMBL29049032 | 0.81 | ALDH1A1 (0.38) | — | |
| Bicarbonate SCHEMBL16592510 | 0.80 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28132569 | 0.80 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL155971 | 0.80 | — | — | |
| SCHEMBL321648 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL18628631 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL30584565 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL18628625 | 0.74 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1898485-A1 | NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE | Mitsubishi Chemical Corporation (JP) | 2008-03-12 | — | — | EP | disclosed |