⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7807742 | 0.78 | — | — | |
| SCHEMBL3626628 | 0.72 | — | — | |
| SCHEMBL3629035 | 0.72 | — | — | |
| SCHEMBL5394629 | 0.71 | — | — | |
| SCHEMBL28688969 | 0.71 | — | — | |
| SCHEMBL10535005 | 0.71 | — | — | |
| SCHEMBL28683358 | 0.71 | — | — | |
| SCHEMBL20943652 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL129299 | 0.69 | — | — | |
| SCHEMBL47719 | 0.69 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| EP-3169666-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| CN-106660954-A | Substituted azaspiro(4.5)decane derivatives | 格吕伦塔尔有限公司 | 2017-05-10 | — | — | CN | disclosed |
| WO-2016008582-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| WO-2016008582-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| US-20070270587-A1 | PYRIMIDOINDOLONES AND METHODS FOR USING SAME | WYETH (US) | 2007-11-22 | — | — | US | disclosed |
| US-7256198-B2 | Pyrimidoindolones and methods for using same | WYETH (US) | 2007-08-14 | — | — | US | disclosed |
| US-20050250798-A1 | E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke | WYETH (US) | 2005-11-10 | — | — | US | disclosed |