⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28145154 | 0.87 | — | — | |
| SCHEMBL3218285 | 0.82 | — | — | |
| SCHEMBL1138117 | 0.82 | — | — | |
| SCHEMBL2815543 | 0.82 | — | — | |
| SCHEMBL641685 | 0.82 | — | — | |
| SCHEMBL7164265 | 0.67 | — | — | |
| SCHEMBL21630451 | 0.67 | — | — | |
| SCHEMBL21271516 | 0.67 | — | — | |
| SCHEMBL20679660 | 0.67 | — | — | |
| SCHEMBL3229530 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106622385-B | A kind of double-core magnesium-germanium tungsten oxygen cluster catalyst, preparation method and its usage | 聊城大学 | 2019-01-29 | — | — | CN | disclosed |
| CN-106622385-A | Double-core magnesium-germanium tungsten oxide cluster catalyst and preparing method and application thereof | 聊城大学 | 2017-05-10 | — | — | CN | disclosed |