⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4900302 | 0.77 | HCAR2 (0.33) | — | |
| SCHEMBL27127022 | 0.75 | HCAR2 (0.33) | — | |
| SCHEMBL25257427 | 0.75 | — | — | |
| SCHEMBL12489591 | 0.74 | — | — | |
| SCHEMBL3945997 | 0.73 | — | — | |
| SCHEMBL28009095 | 0.73 | — | — | |
| SCHEMBL8799687 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL31378504 | 0.72 | — | — | |
| SCHEMBL949418 | 0.71 | — | — | |
| SCHEMBL7001110 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118103362-A | Herbicidal imidazole compounds | 先正达农作物保护股份公司 | 2024-05-28 | — | — | CN | disclosed |
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |