⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15915096 | 0.85 | — | — | |
| SCHEMBL4652472 | 0.76 | — | — | |
| SCHEMBL9144777 | 0.75 | — | — | |
| SCHEMBL9143877 | 0.75 | — | — | |
| SCHEMBL15915151 | 0.74 | — | — | |
| SCHEMBL15915418 | 0.74 | — | — | |
| SCHEMBL15914459 | 0.74 | — | — | |
| SCHEMBL15916069 | 0.72 | — | — | |
| SCHEMBL15915198 | 0.67 | — | — | |
| SCHEMBL15915530 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421874-A1 | COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF | Evonik Degussa GmbH (DE) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121873-A1 | COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF | EVONIK DEGUSSA GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |