⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9986021 | 0.88 | CYP1A2 (0.30) | — | |
| SCHEMBL21028897 | 0.83 | TP53 (0.36) | — | |
| SCHEMBL13450951 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL9985898 | 0.72 | PTGS2 (0.30) | — | |
| SCHEMBL9985239 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL21028896 | 0.71 | — | — | |
| SCHEMBL9811332 | 0.69 | MGAM (0.34) | — | |
| SCHEMBL17233403 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL7905900 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL15453370 | 0.68 | MGAM (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585444-B1 | AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-22 | — | — | EP | disclosed |
| EP-2585444-B1 | AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-22 | — | — | EP | disclosed |
| US-8765744-B2 | Azaspirohexanones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8765744-B2 | Azaspirohexanones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8765744-B2 | Azaspirohexanones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| EP-2585444-A1 | AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS | Boehringer Ingelheim International GmbH (DE) | 2013-05-01 | — | — | EP | disclosed |
| US-20120190675-A1 | Azaspirohexanones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-26 | — | — | US | disclosed |
| US-20120190675-A1 | Azaspirohexanones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-26 | — | — | US | disclosed |
| US-20120190675-A1 | Azaspirohexanones | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-26 | — | — | US | disclosed |
| WO-2011161128-A1 | AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-29 | — | — | WO | disclosed |
| WO-2011161128-A1 | AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-29 | — | — | WO | disclosed |