⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7394524 | 0.82 | — | — | |
| SCHEMBL20703058 | 0.80 | — | — | |
| SCHEMBL7785949 | 0.76 | HSD11B1 (0.33) | — | |
| SCHEMBL14475938 | 0.73 | CHRM1 (0.33) | — | |
| SCHEMBL29008238 | 0.71 | — | — | |
| SCHEMBL11036592 | 0.71 | — | — | |
| SCHEMBL16804806 | 0.71 | — | — | |
| SCHEMBL2804508 | 0.67 | — | — | |
| SCHEMBL20733439 | 0.67 | SIGMAR1 (0.33) | — | |
| SCHEMBL75776 | 0.67 | SIGMAR1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11518726-B2 | Synthesis of bicyclo[2.2.2]octane derivatives | EASTMAN CHEMICAL COMPANY (US) | 2022-12-06 | — | — | US | disclosed |
| US-20200270191-A1 | SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES | EASTMAN CHEMICAL COMPANY (US) | 2020-08-27 | — | — | US | disclosed |
| WO-2019075004-A1 | SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES | EASTMAN CHEMICAL COMPANY (US) | 2019-04-18 | — | — | WO | disclosed |
| EP-0849268-B1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 2001-10-10 | — | — | EP | disclosed |
| EP-0849268-A1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 1998-06-24 | — | — | EP | disclosed |