⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1701822 | 0.76 | — | — | |
| SCHEMBL2384587 | 0.74 | — | — | |
| SCHEMBL16267767 | 0.72 | — | — | |
| SCHEMBL2200426 | 0.71 | SMPD1 (0.41) | — | |
| SCHEMBL16616204 | 0.71 | SMPD1 (0.41) | — | |
| SCHEMBL7857533 | 0.70 | — | — | |
| SCHEMBL9492064 | 0.70 | CA12 (0.42) | — | |
| SCHEMBL4535153 | 0.69 | — | — | |
| SCHEMBL21580207 | 0.66 | — | — | |
| SCHEMBL23178402 | 0.62 | CYP2C19 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8979996-B2 | Composition containing quaternary amino-functional organosilicon compunds and production and use thereof | EVONIK DEGUSSA GMBH (DE) | 2015-03-17 | — | — | US | disclosed |
| US-20140208981-A1 | COMPOSITION CONTAINING QUATERNARY AMINO-FUNCTIONAL ORGANOSILICON COMPOUNDS AND PRODUCTION AND USE THEREOF | EVONIK DEGUSSA GMBH (DE) | 2014-07-31 | — | — | US | disclosed |
| 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 |