⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL11230825 | 0.87 | — | — | |
| Dioxane SCHEMBL27608979 | 0.86 | TTR (0.43) | — | |
| Tetrahydrofuran SCHEMBL11688867 | 0.84 | ALDH1A1 (0.47) | — | |
| Nitromethane SCHEMBL11688663 | 0.84 | ALDH1A1 (0.47) | — | |
| Dioxane SCHEMBL11688679 | 0.82 | — | — | |
| Cyclopentane SCHEMBL9751884 | 0.81 | — | — | |
| Nitric Acid SCHEMBL9803877 | 0.79 | — | — | |
| Dioxane SCHEMBL11688881 | 0.78 | TTR (0.35) | — | |
| Nitromethane SCHEMBL29707679 | 0.76 | — | — | |
| Nitromethane SCHEMBL525 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008027519-A1 | OXETANE STABILIZERS FOR FLUOROOLEFINS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-03-06 | — | — | WO | claimed |