⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1845839 | 0.89 | — | — | |
| SCHEMBL2703304 | 0.74 | — | — | |
| SCHEMBL183810 | 0.70 | — | — | |
| SCHEMBL183481 | 0.69 | — | — | |
| SCHEMBL7874991 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL4820328 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL7693911 | 0.65 | — | — | |
| SCHEMBL23829532 | 0.63 | — | — | |
| SCHEMBL669010 | 0.63 | — | — | |
| SCHEMBL1872063 | 0.63 | — | — |
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-8268867-B2 | 1,3-dioxane carboxylic acids | CADILA HEALTHCARE LIMITED (IN) | 2012-09-18 | — | — | US | claimed |
| US-20100311795-A1 | 1,3-DIOXANE CARBOXYLIC ACIDS | CADILA HEALTHCARE LIMITED (IN) | 2010-12-09 | — | — | US | claimed |
| US-8178579-B2 | Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-05-15 | — | — | US | disclosed |
| US-20080269245-A1 | Dioxanes and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2008-10-30 | — | — | US | disclosed |
| US-7244853-B2 | Dioxanes and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-07-17 | — | — | US | disclosed |
| US-20040072849-A1 | Dioxanes and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-04-15 | — | — | US | disclosed |
| US-20030187027-A1 | Dioxanes and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-10-02 | — | — | US | disclosed |
| WO-2002089782-A2 | DIOXANES AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2002-11-14 | — | — | WO | disclosed |