⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146744 | 0.87 | — | — | |
| SCHEMBL29148027 | 0.75 | — | — | |
| SCHEMBL31016474 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL668238 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3426323 | 0.75 | — | — | |
| SCHEMBL1466488 | 0.75 | — | — | |
| SCHEMBL31612448 | 0.75 | — | — | |
| Fluoride SCHEMBL5442048 | 0.75 | — | — | |
| Iodide SCHEMBL5528799 | 0.75 | — | — | |
| SCHEMBL16053427 | 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-112430249-A | Metal complex and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2021-03-02 | — | — | CN | claimed |
| CN-112430249-A | Metal complex and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2021-03-02 | — | — | CN | disclosed |