⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502063 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27877380 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4784695 | 0.94 | — | — | |
| SCHEMBL4669189 | 0.94 | — | — | |
| SCHEMBL28190363 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28875590 | 0.92 | TSHR (0.57) | — | |
| Alcohol SCHEMBL16767380 | 0.89 | TSHR (0.55) | — | |
| SCHEMBL28210368 | 0.85 | TSHR (0.50) | — | |
| SCHEMBL28163696 | 0.83 | USP2 (0.48) | — | |
| SCHEMBL12229285 | 0.81 | TSHR (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106621782-B | A kind of macromolecule denitrfying agent and preparation method thereof | 深圳华明环保科技有限公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-106621782-A | High-polymer denitration agent and preparation method thereof | 深圳市唯有新材料有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106496637-A | A kind of rubber modified calcium carbonate | 贺州钟山县双文碳酸钙新材料有限公司 | 2017-03-15 | — | — | CN | disclosed |