⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15344647 | 0.66 | — | — | |
| SCHEMBL6158892 | 0.64 | — | — | |
| SCHEMBL31404241 | 0.64 | — | — | |
| SCHEMBL5530307 | 0.61 | LTA4H (0.32) | — | |
| SCHEMBL27862781 | 0.61 | — | — | |
| SCHEMBL31451728 | 0.61 | NOS2 (0.39) | — | |
| SCHEMBL28628089 | 0.60 | — | — | |
| SCHEMBL6520448 | 0.60 | — | — | |
| SCHEMBL9844936 | 0.60 | KMT2A (0.31) | — | |
| SCHEMBL27342896 | 0.60 | — | — |
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-109970737-B | Benzimidazole pyridine salt compound and synthesis method thereof | 四川科伦药物研究院有限公司 | 2021-04-27 | — | — | CN | disclosed |