⚠ 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 | |
|---|---|---|---|---|
| Dimethylcarbate SCHEMBL1232328 | 0.95 | — | — | |
| Dimethylcarbate SCHEMBL15360 | 0.95 | — | — | |
| Dimethylcarbate SCHEMBL321621 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL6868663 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL639149 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL3695848 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL11751711 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL149386 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL10758188 | 0.91 | — | — | |
| Dimethylcarbate SCHEMBL4290346 | 0.91 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120252979-A1 | Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers | RADEMACHER CHRISTINE (US) | 2012-10-04 | — | — | US | disclosed |
| US-8067503-B2 | Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers | BRIDGESTONE CORPORATION (JP) | 2011-11-29 | — | — | US | disclosed |
| US-20070161748-A1 | PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC, 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS | BRIDGESTONE CORPORATION | 2007-07-12 | — | — | US | disclosed |
| US-20040242780-A1 | using a catalyst that is based on a chromium-containing compound, a hydrogen phosphite, and an organomagnesium compound, or a catalyst based on a molybdenum or iron-compound, a hydrogen phosphite and organoaluminum compound; tire sidewalls; obviates the need for high-temperature mixing | BRIDGESTONE CORPORATION (JP) | 2004-12-02 | — | — | US | disclosed |
| WO-2003040231-A1 | PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS | BRIDGESTONE CORPORATION (JP) | 2003-05-15 | — | — | WO | disclosed |
| US-6528588-B2 | Polymerization of 1,3-butadiene in the presence of a catalyst made of a chromium compound, a hydrogen phosphite, an organomagnesium compound, a molybdenum containing compound and an organoaluminum compound | BRIDGESTONE CORPORATION (JP) | 2003-03-04 | — | — | US | disclosed |
| US-20020037967-A1 | Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with a chromium-based catalyst system | BRIDGESTONE CORPORATION (JP) | 2002-03-28 | — | — | US | disclosed |
| US-6291591-B1 | PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING 1,3-BUTADIENE BY USING A CATALYST WHICH IS COMBINATION OF OR THE REACTION PRODUCT OF CHROMIUM COMPOUND, HYDROGEN PHOSPHITE, ORGANOMAGNESIUM COMPOUND | BRIDGESTONE CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |