⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL63217 | 0.74 | L3MBTL1 (0.40) | — | |
| SCHEMBL15292025 | 0.74 | — | — | |
| SCHEMBL174098 | 0.74 | — | — | |
| SCHEMBL3282927 | 0.74 | — | — | |
| SCHEMBL3636886 | 0.74 | — | — | |
| SCHEMBL1849977 | 0.74 | — | — | |
| SCHEMBL14696607 | 0.72 | L3MBTL1 (0.53) | — | |
| SCHEMBL22616127 | 0.71 | L3MBTL1 (0.41) | — | |
| SCHEMBL12400379 | 0.70 | L3MBTL1 (0.47) | — | |
| SCHEMBL9810683 | 0.69 | L3MBTL1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105439957-B | A kind of method of the bromo- 4- nitroimidazoles of synthesis 2- | 浙江省诸暨合力化学对外贸易有限公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-105439957-A | Method for synthesizing 2-bromo-4-nitroimidazole | ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD | 2016-03-30 | — | — | CN | disclosed |