⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27314621 | 0.89 | — | — | |
| SCHEMBL15434 | 0.86 | — | — | |
| SCHEMBL27583315 | 0.86 | TSHR (0.59) | — | |
| SCHEMBL3288569 | 0.86 | — | — | |
| Acetonitrile SCHEMBL18585468 | 0.83 | ALDH1A1 (0.46) | — | |
| SCHEMBL4185594 | 0.83 | MCL1 (0.45) | — | |
| SCHEMBL5074662 | 0.83 | — | — | |
| SCHEMBL4652748 | 0.83 | — | — | |
| Methyl Alcohol SCHEMBL818529 | 0.83 | — | — | |
| Methoxymethane SCHEMBL7245196 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108987670-A | Solid solution lithium-containing transition metal oxide, positive electrode for nonaqueous electrolyte secondary battery and non-aqueous electrolyte secondary battery | 日产自动车株式会社 | 2018-12-11 | — | — | CN | disclosed |
| CN-104716377-B | Can AC charging and/or electric discharge battery | 远景能源（江苏）有限公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-105612652-B | The control device and control method of secondary cell | 日产自动车株式会社 | 2018-01-16 | — | — | CN | disclosed |