⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL540894 | 0.82 | — | — | |
| SCHEMBL482964 | 0.79 | — | — | |
| SCHEMBL27936032 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL4429926 | 0.76 | SLC22A6 (0.32) | — | |
| SCHEMBL8940735 | 0.76 | — | — | |
| SCHEMBL9576502 | 0.75 | — | — | |
| SCHEMBL21175630 | 0.75 | — | — | |
| SCHEMBL9559098 | 0.73 | — | — | |
| SCHEMBL482511 | 0.73 | — | — | |
| SCHEMBL9293929 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0849268-B1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 2001-10-10 | — | — | EP | disclosed |
| US-5882544-A | Polycyclic iminooxadiazinediones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-16 | — | — | US | disclosed |
| EP-0849268-A1 | Polycyclic iminooxadiazindiones from (cyclo)aliphatic 1,4-diisocyanates | BAYER AG (DE) | 1998-06-24 | — | — | EP | disclosed |