⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL275328 | 0.89 | TSHR (0.32) | — | |
| SCHEMBL12169131 | 0.81 | — | — | |
| SCHEMBL10226888 | 0.81 | — | — | |
| SCHEMBL24603372 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL45388 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL4556468 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL13577776 | 0.71 | — | — | |
| Alcohol SCHEMBL7187474 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL5099033 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL10380831 | 0.67 | TSHR (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917268-A2 | PREPARATION OF 2,6-DIOXA-7-AZA-BICYCLO(2.2.2)OCTANES, AND THEIR USE IN COATINGS | E.I.Du pont de nemours and company (US) | 2008-05-07 | — | — | EP | claimed |
| WO-2007024835-A2 | PREPARATION OF 2,6-DIOXA-7-AZA-BICYCLO[2.2.2]OCTANES, AND THEIR USE IN COATINGS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-03-01 | — | — | WO | claimed |
| US-20070049752-A1 | Preparation of 2,6-dioxa-7-aza-bicyclo[2.2.2] octanes | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-03-01 | — | — | US | claimed |
| EP-1917268-A2 | PREPARATION OF 2,6-DIOXA-7-AZA-BICYCLO(2.2.2)OCTANES, AND THEIR USE IN COATINGS | E.I.Du pont de nemours and company (US) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007024835-A2 | PREPARATION OF 2,6-DIOXA-7-AZA-BICYCLO[2.2.2]OCTANES, AND THEIR USE IN COATINGS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-03-01 | — | — | WO | disclosed |
| US-20070049752-A1 | Preparation of 2,6-dioxa-7-aza-bicyclo[2.2.2] octanes | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-03-01 | — | — | US | disclosed |