⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27827998 | 0.93 | — | — | |
| SCHEMBL34730 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28081136 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL6297793 | 0.90 | — | — | |
| SCHEMBL28267050 | 0.90 | — | — | |
| Water SCHEMBL23500113 | 0.90 | — | — | |
| Iodide SCHEMBL410829 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL194565 | 0.90 | — | — | |
| Fluoride SCHEMBL635145 | 0.90 | — | — | |
| SCHEMBL27937338 | 0.90 | — | — |
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-107533919-A | Wide temperature range super capacitor | 快帽系统公司 | 2018-01-02 | — | — | CN | disclosed |