⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3638948 | 0.72 | — | — | |
| SCHEMBL474965 | 0.70 | — | — | |
| SCHEMBL474963 | 0.70 | — | — | |
| SCHEMBL11483449 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL11011947 | 0.67 | GRIK1 (0.47) | — | |
| SCHEMBL28627233 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL2193910 | 0.64 | LMNA (0.50) | — | |
| SCHEMBL627720 | 0.64 | LMNA (0.50) | — | |
| SCHEMBL7523370 | 0.62 | — | — | |
| SCHEMBL7528966 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8557796-B2 | Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods | GRUENENTHAL GMBH (DE) | 2013-10-15 | — | — | US | disclosed |
| US-8048890-B2 | Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |
| US-20110224172-A1 | Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods | GRUENENTHAL GMBH (DE) | 2011-09-15 | — | — | US | disclosed |
| US-20040192916-A1 | Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods | GRUENENTHAL GMBH (DE) | 2004-09-30 | — | — | US | disclosed |