⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15442498 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL25290229 | 0.71 | — | — | |
| SCHEMBL1679017 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4406223 | 0.67 | — | — | |
| SCHEMBL16412187 | 0.67 | — | — | |
| SCHEMBL27563463 | 0.67 | — | — | |
| SCHEMBL21843928 | 0.65 | — | — | |
| Ethylene SCHEMBL27521903 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL1678184 | 0.63 | — | — | |
| SCHEMBL9334816 | 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 |
|---|---|---|---|---|---|---|---|
| CN-104737256-B | Electrical storage device electrolytic salt and electrolyte and electrical storage device | 日清纺控股株式会社 | 2018-01-30 | — | — | CN | disclosed |