⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30423728 | 0.67 | — | — | |
| Carbon Dioxide SCHEMBL30858717 | 0.67 | — | — | |
| Carbon Dioxide SCHEMBL916 | 0.61 | — | — | |
| Carbon Dioxide SCHEMBL88397 | 0.61 | — | — | |
| Carbon Dioxide SCHEMBL7713031 | 0.61 | — | — | |
| Carbon Dioxide SCHEMBL71642 | 0.61 | — | — | |
| Carbon Dioxide SCHEMBL241039 | 0.61 | — | — | |
| Carbon Dioxide SCHEMBL25272012 | 0.55 | — | — | |
| Carbon Dioxide SCHEMBL1915896 | 0.55 | — | — | |
| Carbon Dioxide SCHEMBL5161820 | 0.55 | — | — |
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-116666542-A | Aqueous rechargeable calcium ion storage electrode based on vat dye | 西北工业大学 | 2023-08-29 | — | — | CN | disclosed |