⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105420 | 0.84 | TDP1 (0.38) | — | |
| SCHEMBL5378151 | 0.83 | — | — | |
| SCHEMBL10419840 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL2801880 | 0.73 | — | — | |
| SCHEMBL1404426 | 0.70 | — | — | |
| SCHEMBL2808342 | 0.69 | TDP1 (0.30) | — | |
| SCHEMBL2805805 | 0.68 | — | — | |
| SCHEMBL14539095 | 0.68 | THRB (0.32) | — | |
| SCHEMBL7564136 | 0.67 | ALDH1A1 (0.53) | — | |
| SCHEMBL9206724 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11279277-A | — | — | None | — | — | JP | disclosed |
| 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-6124402-A | POLYETHER WITH REACTIVE HYDROXYL GROUPS ON SIDE CHAINS MADE BY COPOLYMERIZING A BISOXETANE COMPOUND OF GIVEN FORMULA AND A BISPHENOL COMPOUND; USE AS REACTIVE POLYMERS | KANAGAWA UNIVERSITY (JP) | 2000-09-26 | — | — | US | disclosed |
| US-6117944-A | Curable composition | KANAGAWA UNIVERSITY (JP) | 2000-09-12 | — | — | US | disclosed |
| JP-H11279277-A | POLYADDITION COPOLYMER AND ITS PRODUCTION | KANAGAWA UNIVERSITY | 1999-10-12 | — | — | JP | disclosed |