⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11667968 | 0.68 | — | — | |
| SCHEMBL19639859 | 0.64 | CHKA (0.32) | — | |
| SCHEMBL2654222 | 0.64 | — | — | |
| SCHEMBL11178142 | 0.60 | CA12 (0.31) | — | |
| SCHEMBL544100 | 0.60 | ALDH1A1 (0.48) | — | |
| SCHEMBL9754383 | 0.60 | — | — | |
| SCHEMBL9757638 | 0.58 | OPRM1 (0.34) | — | |
| SCHEMBL851567 | 0.58 | CHKA (0.50) | — | |
| SCHEMBL29111644 | 0.58 | — | — | |
| SCHEMBL29249717 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1080091-A1 | NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES | Novo Nordisk A/S (DK) | 2001-03-07 | — | — | EP | claimed |
| WO-1999059997-A1 | NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES | NOVO NORDISK A/S (DK) | 1999-11-25 | — | — | WO | claimed |
| EP-1080091-A1 | NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES | Novo Nordisk A/S (DK) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999059997-A1 | NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES | NOVO NORDISK A/S (DK) | 1999-11-25 | — | — | WO | disclosed |