⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30691872 | 1.00 | TRPA1 (0.58) | — | |
| SCHEMBL15075855 | 1.00 | — | — | |
| SCHEMBL9926021 | 1.00 | TRPA1 (0.58) | — | |
| SCHEMBL5050147 | 1.00 | TRPA1 (0.58) | — | |
| SCHEMBL9926022 | 0.88 | TRPA1 (0.58) | — | |
| SCHEMBL4795499 | 0.84 | TRPA1 (0.50) | — | |
| SCHEMBL4795502 | 0.84 | TRPA1 (0.50) | — | |
| SCHEMBL2515375 | 0.84 | TRPA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL8007872 | 0.82 | TRPA1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL8007871 | 0.82 | TRPA1 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4568960-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| CN-120136803-A | Isoxazoline substituted benzamide compound and application thereof | 青岛清原化合物有限公司 | 2025-06-13 | — | — | CN | disclosed |
| CN-117729913-A | Novel formulations comprising azacytidine | 南爱克萨股份公司 | 2024-03-19 | — | — | CN | disclosed |
| WO-2024033458-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2024-02-15 | — | — | WO | disclosed |
| CN-116709923-A | Copper-based fungicide composition | 阿达玛马克西姆有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-114923826-A | Deep high-temperature rheological deposit tailing filling body pore water pressure simulation method and application thereof | 四川大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-114206374-A | Pharmaceutical composition for treating levodopa-induced dyskinesia or for inhibiting progression thereof | 佩特通公司 | 2022-03-18 | — | — | CN | disclosed |