⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27064 | 0.82 | LMNA (0.73) | — | |
| SCHEMBL10839922 | 0.79 | LMNA (0.69) | — | |
| SCHEMBL28957828 | 0.79 | LMNA (0.69) | — | |
| SCHEMBL10433525 | 0.79 | LMNA (0.52) | — | |
| SCHEMBL482804 | 0.78 | — | — | |
| SCHEMBL272528 | 0.77 | — | — | |
| SCHEMBL365943 | 0.76 | — | — | |
| SCHEMBL11123048 | 0.76 | — | — | |
| SCHEMBL10962700 | 0.75 | — | — | |
| SCHEMBL9459 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576545-A1 | NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE | Cardiolynx AG (CH) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011151362-A1 | NITRATE AND DIAZENIUMDIOLATE DERIVATIVES OF PIOGLITAZONE | CARDIOLYNX AG (CH) | 2011-12-08 | — | — | WO | disclosed |
| EP-1595863-B1 | QUATERNARY AMMONIUM SALTS | KOEI CHEMICAL CO (JP) | 2010-12-29 | — | — | EP | disclosed |
| CN-100537575-C | Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof | SUMITOMO CHEMICAL CO (JP) | 2009-09-09 | — | — | CN | disclosed |
| CN-1753898-A | Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof | SUMITOMO CHEMICAL CO (JP) | 2006-03-29 | — | — | CN | disclosed |
| EP-1595863-A1 | QUATERNARY AMMONIUM SALTS | KOEI CHEMICAL CO., LTD. (JP) | 2005-11-16 | — | — | EP | disclosed |