⚠ 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 SCHEMBL29666507 | 1.00 | — | — | |
| Zinc Ion SCHEMBL20838208 | 0.87 | — | — | |
| Zinc Ion SCHEMBL9348381 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL27539 | 0.82 | — | — | |
| Zinc Ion SCHEMBL10427052 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL634081 | 0.82 | — | — | |
| Zinc Ion SCHEMBL4757897 | 0.82 | GPR39 (0.33) | — | |
| SCHEMBL43117 | 0.82 | — | — | |
| Zinc Ion SCHEMBL7794532 | 0.82 | GPR39 (0.33) | — | |
| Zinc Ion SCHEMBL7744965 | 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-20050142343-A1 | Moulded bodies consisting of core-shell particles | MERCK PATENT GMBH (DE) | 2005-06-30 | — | — | US | disclosed |