⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6442828 | 0.77 | EPHX1 (0.30) | — | |
| SCHEMBL6440599 | 0.75 | — | — | |
| SCHEMBL14372147 | 0.67 | — | — | |
| SCHEMBL11732281 | 0.65 | — | — | |
| SCHEMBL14434056 | 0.62 | — | — | |
| SCHEMBL9522508 | 0.59 | — | — | |
| SCHEMBL2684131 | 0.59 | — | — | |
| SCHEMBL9565019 | 0.57 | — | — | |
| SCHEMBL17935121 | 0.55 | — | — | |
| SCHEMBL13283972 | 0.55 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004272-A1 | BIOCIDAL COMPOSITION OF 2,6-DIMETHYL-M-DIOXANE-4-OL ACETATE AND METHODS OF USE | JI KATHY J (CN) | 2012-01-05 | — | — | US | claimed |
| EP-2346327-A2 | BIOCIDAL COMPOSITIONS AND METHODS OF USE | Dow Global Technologies LLC (US) | 2011-07-27 | — | — | EP | claimed |
| WO-2010108324-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 | claimed |
| WO-2010039923-A2 | BIOCIDAL COMPOSITIONS AND METHODS OF USE | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-04-08 | — | — | WO | claimed |
| US-20100078393-A1 | BIOCIDAL COMPOSITIONS AND METHODS OF USE | DOW GLOBAL TECHNOLOGIES LLC | 2010-04-01 | — | — | US | claimed |
| US-20120004272-A1 | BIOCIDAL COMPOSITION OF 2,6-DIMETHYL-M-DIOXANE-4-OL ACETATE AND METHODS OF USE | JI KATHY J (CN) | 2012-01-05 | — | — | US | disclosed |
| EP-2346327-A2 | BIOCIDAL COMPOSITIONS AND METHODS OF USE | Dow Global Technologies LLC (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010039923-A2 | BIOCIDAL COMPOSITIONS AND METHODS OF USE | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-04-08 | — | — | WO | disclosed |
| US-20100078393-A1 | BIOCIDAL COMPOSITIONS AND METHODS OF USE | DOW GLOBAL TECHNOLOGIES LLC | 2010-04-01 | — | — | US | disclosed |