⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL30912169 | 0.87 | — | — | |
| Zinc Ion SCHEMBL30873754 | 0.87 | — | — | |
| Zinc Ion SCHEMBL10889842 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL8061002 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL10408372 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL10408443 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL8057600 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL8057707 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL21753941 | 0.82 | — | — | |
| Zinc Ion SCHEMBL14809810 | 0.82 | GPR39 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220140344-A1 | PRIMARY CHEMICAL CURRENT SOURCE BASED ON GRAPHENE | KORNILOV, Denis Yurevich (RU) | 2022-05-05 | — | — | US | disclosed |