⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4611197 | 0.72 | — | — | |
| SCHEMBL2990206 | 0.72 | CA12 (0.33) | — | |
| SCHEMBL4610889 | 0.71 | — | — | |
| SCHEMBL4612125 | 0.70 | — | — | |
| SCHEMBL7051927 | 0.67 | CA12 (0.30) | — | |
| SCHEMBL2984366 | 0.67 | CA12 (0.45) | — | |
| SCHEMBL4610144 | 0.67 | — | — | |
| SCHEMBL4612092 | 0.66 | HTT (0.38) | — | |
| SCHEMBL4612179 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL4611366 | 0.65 | ALDH1A1 (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1419182-B1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | BRIDGESTONE CORP (JP) | 2008-10-15 | — | — | EP | disclosed |
| CN-1293102-C | Iron-based catalyst composition for producing syndiotactic 1, 2-polybutadiene | BRIDGESTONE CORP (JP) | 2007-01-03 | — | — | CN | disclosed |
| CN-1527844-A | Iron-based catalyst composition for the manufacture of syndiotactic 1.2-polybutadiene | ������������ʽ���� | 2004-09-08 | — | — | CN | disclosed |
| EP-1419182-A1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | Bridgestone Corporation (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6610804-B2 | An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound | BRIDGESTONE CORPORATION (JP) | 2003-08-26 | — | — | US | disclosed |
| US-6576725-B1 | Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization | BRIDGESTONE CORPORATION (JP) | 2003-06-10 | — | — | US | disclosed |
| US-20030073570-A1 | Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition | BRIDGESTONE CORP. | 2003-04-17 | — | — | US | disclosed |
| US-20030073790-A1 | Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene | BRIDGESTONE CORP. | 2003-04-17 | — | — | US | disclosed |
| WO-2003018644-A1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2003-03-06 | — | — | WO | disclosed |