⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11352769 | 0.93 | — | — | |
| SCHEMBL27466664 | 0.88 | NAAA (0.37) | — | |
| SCHEMBL27467546 | 0.86 | NAAA (0.35) | — | |
| SCHEMBL3697929 | 0.86 | CYP1A2 (0.36) | — | |
| SCHEMBL3700988 | 0.84 | CYP1A2 (0.38) | — | |
| SCHEMBL7865759 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL11247922 | 0.83 | SIGMAR1 (0.36) | — | |
| SCHEMBL7763470 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL11621106 | 0.83 | — | — | |
| SCHEMBL6910032 | 0.82 | CNR1 (0.33) | — |
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-8980960-B2 | Methods for producing a dispersion containing silicon dioxide particles and cationization agent | EVONIK DEGUSSA GMBH (DE) | 2015-03-17 | — | — | US | disclosed |
| US-8747541-B2 | Dispersion containing silica particles surface-modified with quaternary, aminofunctional organosilicon compounds | EVONIK DEGUSSA GMBH (DE) | 2014-06-10 | — | — | US | disclosed |
| EP-2590759-A1 | METHODS FOR PRODUCING A DISPERSION CONTAINING SILICON DIOXIDE PARTICLES AND CATIONIZATION AGENT | Evonik Degussa GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-20130040078-A1 | METHODS FOR PRODUCING A DISPERSION CONTAINING SILICON DIOXIDE PARTICLES AND CATIONIZATION AGENT | EVONIK DEGUSSA GMBH (DE) | 2013-02-14 | — | — | US | disclosed |
| WO-2012004044-A1 | METHODS FOR PRODUCING A DISPERSION CONTAINING SILICON DIOXIDE PARTICLES AND CATIONIZATION AGENT | EVONIK DEGUSSA GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |
| US-20120006228-A1 | DISPERSION CONTAINING SILICA PARTICLES SURFACE-MODIFIED WITH QUATERNARY, AMINOFUNCTIONAL ORGANOSILICON COMPOUNDS | EVONIK DEGUSSA GMBH (DE) | 2012-01-12 | — | — | US | disclosed |
| US-4390712-A | Aqueous solution of cationic organosilicon compounds and process for the production of the solutions | DEGUSSA AG (DE) | 1983-06-28 | — | — | US | disclosed |