⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1815063 | 0.81 | — | — | |
| SCHEMBL308929 | 0.69 | HDAC3 (0.48) | — | |
| SCHEMBL551048 | 0.69 | HDAC3 (0.48) | — | |
| Hydrochloric Acid SCHEMBL308063 | 0.68 | HDAC3 (0.47) | — | |
| SCHEMBL11619908 | 0.66 | PTPRC (0.35) | — | |
| SCHEMBL11625180 | 0.66 | MAOB (0.35) | — | |
| SCHEMBL2028396 | 0.61 | ADH5 (0.32) | — | |
| SCHEMBL8812696 | 0.61 | PDE3B (0.59) | — | |
| SCHEMBL11386244 | 0.60 | L3MBTL1 (0.55) | — | |
| SCHEMBL13411813 | 0.59 | ADH5 (0.36) | — |
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-1910375-B1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME (US) | 2011-05-11 | — | — | EP | disclosed |
| US-7935712-B2 | Spirochromanone derivatives as acetyl coenzyme A carboxylase (ACC) inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-05-03 | — | — | US | disclosed |
| US-20090131464-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME LLC | 2009-05-21 | — | — | US | disclosed |
| US-7410976-B2 | Spirochromanone derivatives | MERCK & CO., INC. (US) | 2008-08-12 | — | — | US | disclosed |
| EP-1910375-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011809-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |
| US-20070021453-A1 | Novel spirochromanone derivatives | MERCK SHARP & DOHME LLC | 2007-01-25 | — | — | US | disclosed |