⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6407543 | 0.71 | — | — | |
| SCHEMBL11772125 | 0.69 | — | — | |
| SCHEMBL26090 | 0.60 | — | — | |
| SCHEMBL3537152 | 0.58 | — | — | |
| SCHEMBL11568727 | 0.58 | — | — | |
| SCHEMBL6195782 | 0.55 | — | — | |
| SCHEMBL11263462 | 0.55 | — | — | |
| SCHEMBL28695899 | 0.55 | — | — | |
| SCHEMBL27082003 | 0.55 | — | — | |
| SCHEMBL11473097 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104163786-A | Method for preparing 5-methyl-3-bromomethylpyridine hydrobromide | SHANGHAI INST TECHNOLOGY | 2014-11-26 | — | — | CN | disclosed |