⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11786116 | 0.81 | — | — | |
| SCHEMBL27591381 | 0.74 | — | — | |
| SCHEMBL5052557 | 0.72 | — | — | |
| SCHEMBL2182653 | 0.72 | — | — | |
| SCHEMBL2992580 | 0.72 | — | — | |
| SCHEMBL29201635 | 0.72 | — | — | |
| SCHEMBL29201545 | 0.72 | — | — | |
| SCHEMBL978492 | 0.70 | — | — | |
| SCHEMBL2908599 | 0.68 | — | — | |
| SCHEMBL5097205 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060160935-A1 | Mixture containing organosilicon compound | DEGUSSA AG (DE) | 2006-07-20 | — | — | US | claimed |
| EP-1672017-A2 | Rubber compositions | Degussa GmbH (DE) | 2006-06-21 | — | — | EP | claimed |
| US-20100105805-A1 | PROCESS FOR PRODUCING RUBBER COMPOSITION FOR TIRE TREAD | BRIDGESTONE CORPORATION (JP) | 2010-04-29 | — | — | US | disclosed |
| EP-2128186-A1 | PROCESS FOR PRODUCING RUBBER COMPOSITION FOR TIRE TREAD | Bridgestone Corporation (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-7384997-B2 | Mixture containing organosilicon compound | EVONIK DEGUSSA GMBH (DE) | 2008-06-10 | — | — | US | disclosed |
| US-20060160935-A1 | Mixture containing organosilicon compound | DEGUSSA AG (DE) | 2006-07-20 | — | — | US | disclosed |
| EP-1672017-A2 | Rubber compositions | Degussa GmbH (DE) | 2006-06-21 | — | — | EP | disclosed |