⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL2635292 | 0.93 | — | — | |
| Imidazole SCHEMBL28744226 | 0.93 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL19028065 | 0.93 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL2684565 | 0.93 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL897 | 0.93 | — | — | |
| Imidazole SCHEMBL30382963 | 0.93 | — | — | |
| Imidazole SCHEMBL1331382 | 0.93 | — | — | |
| Imidazole SCHEMBL1331920 | 0.93 | — | — | |
| Imidazole SCHEMBL16655315 | 0.90 | — | — | |
| Imidazole SCHEMBL4800254 | 0.90 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011146371-A1 | DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2011-11-24 | — | — | WO | disclosed |
| EP-2373630-A1 | NITROOXY DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-10-12 | — | — | EP | disclosed |
| EP-2369924-A1 | NITROOXY CYCLOALKANE DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2011-10-05 | — | — | EP | disclosed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | disclosed |
| WO-2011100384-A1 | DIAZENIUMDIOLATE CYCLOPENTYL DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2011-08-18 | — | — | WO | disclosed |