⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6655008 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL2886614 | 0.74 | — | — | |
| SCHEMBL5092389 | 0.72 | — | — | |
| SCHEMBL5010677 | 0.70 | — | — | |
| SCHEMBL7155331 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL7625756 | 0.64 | — | — | |
| SCHEMBL13822794 | 0.62 | — | — | |
| SCHEMBL6064690 | 0.62 | — | — | |
| SCHEMBL2888734 | 0.60 | — | — | |
| SCHEMBL8604930 | 0.58 | — | — |
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 5 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-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 |