⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8076083 | 0.89 | — | — | |
| SCHEMBL6890816 | 0.89 | — | — | |
| SCHEMBL27757316 | 0.80 | — | — | |
| SCHEMBL6821002 | 0.80 | — | — | |
| SCHEMBL15213 | 0.78 | — | — | |
| SCHEMBL28081046 | 0.73 | — | — | |
| SCHEMBL23039391 | 0.67 | — | — | |
| SCHEMBL19513938 | 0.67 | — | — | |
| SCHEMBL1378714 | 0.67 | — | — | |
| SCHEMBL36654 | 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-109453786-B | Catalyst for preparing 2, 3-dichloropyridine and preparation method and application thereof | 西安凯立新材料股份有限公司 | 2020-10-09 | — | — | CN | disclosed |
| CN-109453786-A | A kind of catalyst and its preparation method and application being used to prepare 2,3- dichloropyridine | 西安凯立新材料股份有限公司 | 2019-03-12 | — | — | CN | disclosed |