⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7846542 | 0.73 | — | — | |
| SCHEMBL618507 | 0.71 | — | — | |
| SCHEMBL12341066 | 0.71 | — | — | |
| SCHEMBL4618906 | 0.71 | — | — | |
| SCHEMBL638400 | 0.71 | — | — | |
| 3-Pentanol SCHEMBL5341 | 0.69 | — | — | |
| SCHEMBL1402345 | 0.69 | — | — | |
| SCHEMBL640907 | 0.69 | — | — | |
| SCHEMBL3394389 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL10167561 | 0.67 | CES1 (0.39) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7439384-B2 | Catalytic polymerization of vinyl chloride with bases with peroxy compounds | ATOFINA (FR) | 2008-10-21 | — | — | US | claimed |
| EP-1362029-B1 | HYDROXY-PEROXYESTER PREPARATION METHOD | ARKEMA (FR) | 2005-09-14 | — | — | EP | claimed |
| US-20040176632-A1 | Catalytic polymerization of vinyl chloride with bases with peroxy compounds | ATOFINA (FR) | 2004-09-09 | — | — | US | claimed |
| EP-1362029-A1 | PEROXYESTER PREPARATION METHOD | Atofina (FR) | 2003-11-19 | — | — | EP | claimed |
| WO-2002064555-A1 | PEROXYESTER PREPARATION METHOD | ATOFINA (FR) | 2002-08-22 | — | — | WO | claimed |
| US-7439384-B2 | Catalytic polymerization of vinyl chloride with bases with peroxy compounds | ATOFINA (FR) | 2008-10-21 | — | — | US | disclosed |
| EP-1362029-B1 | HYDROXY-PEROXYESTER PREPARATION METHOD | ARKEMA (FR) | 2005-09-14 | — | — | EP | disclosed |
| US-20040176632-A1 | Catalytic polymerization of vinyl chloride with bases with peroxy compounds | ATOFINA (FR) | 2004-09-09 | — | — | US | disclosed |
| EP-1362029-A1 | PEROXYESTER PREPARATION METHOD | Atofina (FR) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002064555-A1 | PEROXYESTER PREPARATION METHOD | ATOFINA (FR) | 2002-08-22 | — | — | WO | disclosed |