⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8467385 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL28899563 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL11240058 | 0.75 | — | — | |
| SCHEMBL2761951 | 0.72 | — | — | |
| SCHEMBL11824881 | 0.71 | — | — | |
| SCHEMBL4067657 | 0.71 | — | — | |
| SCHEMBL2467892 | 0.71 | — | — | |
| Water SCHEMBL18694754 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL29349966 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL154866 | 0.70 | ALDH1A1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8828414-B2 | Biocidal composition of 2,6-dimethyl-m-dioxane-4-ol acetate and methods of use | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-09-09 | — | — | US | disclosed |
| EP-1576945-B1 | Cosmetic or pharmaceutic composition comprising modified polyorganosiloxane | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2012-12-19 | — | — | EP | disclosed |
| US-20120009176-A1 | BIOCIDAL COMPOSITION OF 2,6-DIMETHYL-M-DIOXANE-4-OL ACETATE AND METHODS OF USE | DDP SPECIALTY ELECTRONIC MATERIALS US, LLC. | 2012-01-12 | — | — | US | disclosed |
| WO-2010108323-A1 | BIOCIDAL COMPOSITION OF 2,6-DIMETHYL-M-DIOXANE-4-OL ACETATE AND METHODS OF USE | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-09-30 | — | — | WO | disclosed |
| US-20080014166-A1 | Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes | CLARIANT INTERNATIONAL, LTD. | 2008-01-17 | — | — | US | disclosed |
| US-20070041930-A1 | Use of quaternary polysiloxanes in cleaning and care compositions | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH) | 2007-02-22 | — | — | US | disclosed |
| EP-1739132-A2 | Cosmetic or pharmaceutical compositions comprising modified polyorganosiloxanes | CLARIANT INTERNATIONAL LTD. (CH) | 2007-01-03 | — | — | EP | disclosed |
| EP-1576945-A1 | Cosmetic or pharmaceutic composition comprising modified polyorganosiloxane | Clariant GmbH (DE) | 2005-09-21 | — | — | EP | disclosed |