⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49593 | 0.97 | — | — | |
| SCHEMBL27830468 | 0.94 | — | — | |
| Methane SCHEMBL6137389 | 0.94 | — | — | |
| Bicarbonate SCHEMBL28141965 | 0.92 | ALDH1A1 (0.50) | — | |
| SCHEMBL18426018 | 0.92 | — | — | |
| Methacrylic Acid SCHEMBL5057349 | 0.89 | ALDH1A1 (0.48) | — | |
| SCHEMBL27759592 | 0.81 | THRB (0.53) | — | |
| SCHEMBL8740466 | 0.77 | ALDH1A1 (0.88) | — | |
| SCHEMBL28141963 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL3791066 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111471067-A | Methacrylate modified organosilicon quaternary ammonium salt and preparation method and application thereof | 中国人民解放军空军军医大学 | 2020-07-31 | — | — | CN | disclosed |
| US-10159630-B2 | Two- and three-component siloxane and related compounds and compositions | KIMMERLING HOLDINGS GROUP, LLC (US) | 2018-12-25 | — | — | US | disclosed |
| EP-2744847-B1 | TWO- AND THREE-COMPONENT SILOXANES AND RELATED COMPOUNDS AND COMPOSITIONS | KIMMERLING HOLDINGS GROUP LLC (US) | 2018-10-10 | — | — | EP | disclosed |
| US-20160199266-A1 | TWO- AND THREE-COMPONENT SILOXANE AND RELATED COMPOUNDS AND COMPOSITIONS | KIMMERLING HOLDINGS GROUP, LLC | 2016-07-14 | — | — | US | disclosed |
| US-9314407-B2 | Two- and three-component siloxanes and related compounds and compositions | KIMMERLING HOLDINGS GROUP, LLC (US) | 2016-04-19 | — | — | US | disclosed |
| EP-2744847-A1 | TWO- AND THREE-COMPONENT SILOXANES AND RELATED COMPOUNDS AND COMPOSITIONS | Kimmerling Holdings Group, LLC (US) | 2014-06-25 | — | — | EP | disclosed |
| US-20130230676-A1 | Two- and Three-Component Siloxanes and Related Compounds and Compositions | KIMMERLING HOLDINGS GROUP, LLC | 2013-09-05 | — | — | US | disclosed |
| WO-2013028984-A1 | TWO- AND THREE-COMPONENT SILOXANES AND RELATED COMPOUNDS AND COMPOSITIONS | KIMMERLING HOLDINGS GROUP, LLC (US) | 2013-02-28 | — | — | WO | disclosed |