⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL221930 | 0.97 | — | — | |
| SCHEMBL7644924 | 0.74 | — | — | |
| SCHEMBL59224 | 0.70 | — | — | |
| SCHEMBL3991 | 0.70 | — | — | |
| SCHEMBL27689821 | 0.70 | — | — | |
| SCHEMBL9450629 | 0.69 | — | — | |
| SCHEMBL9561983 | 0.69 | — | — | |
| SCHEMBL7648163 | 0.69 | — | — | |
| SCHEMBL27873940 | 0.68 | — | — | |
| SCHEMBL9646646 | 0.67 | GRM2 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113264819-B | Method for rapidly synthesizing 3-bromo-2-fluorobenzaldehyde based on continuous flow reaction technology | 都创(上海)医药开发有限公司 | 2024-11-05 | — | — | CN | claimed |
| CN-113264819-A | Method for rapidly synthesizing 3-bromo-2-fluorobenzaldehyde based on continuous flow reaction technology | 都创(上海)医药开发有限公司 | 2021-08-17 | — | — | CN | claimed |
| CN-113264819-B | Method for rapidly synthesizing 3-bromo-2-fluorobenzaldehyde based on continuous flow reaction technology | 都创(上海)医药开发有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-113264819-B | Method for rapidly synthesizing 3-bromo-2-fluorobenzaldehyde based on continuous flow reaction technology | 都创(上海)医药开发有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-113264819-A | Method for rapidly synthesizing 3-bromo-2-fluorobenzaldehyde based on continuous flow reaction technology | 都创(上海)医药开发有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-113264819-A | Method for rapidly synthesizing 3-bromo-2-fluorobenzaldehyde based on continuous flow reaction technology | 都创(上海)医药开发有限公司 | 2021-08-17 | — | — | CN | disclosed |