⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11387810 | 0.90 | NPSR1 (0.35) | — | |
| SCHEMBL18422845 | 0.90 | — | — | |
| SCHEMBL8362272 | 0.87 | NPSR1 (0.34) | — | |
| SCHEMBL1468175 | 0.74 | — | — | |
| SCHEMBL8290930 | 0.74 | — | — | |
| SCHEMBL984906 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL25478116 | 0.72 | NPSR1 (0.33) | — | |
| SCHEMBL2679117 | 0.72 | — | — | |
| SCHEMBL1469083 | 0.72 | — | — | |
| SCHEMBL4371437 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4236942-A1 | ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2023-09-06 | — | — | EP | disclosed |
| WO-2022093850-A1 | ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2022-05-05 | — | — | WO | disclosed |
| US-20120178726-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2012-07-12 | — | — | US | disclosed |
| US-8163724-B2 | Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy | ASTRAZENECA AB (SE) | 2012-04-24 | — | — | US | disclosed |
| EP-2207788-A1 | STEROIDAL [3, 2-C]PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY | AstraZeneca AB (SE) | 2010-07-21 | — | — | EP | disclosed |
| US-20090286835-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | US | disclosed |
| WO-2009044200-A1 | STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY | ASTRAZENECA AB (SE) | 2009-04-09 | — | — | WO | disclosed |
| EP-1863763-A1 | 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | Speedel Experimenta AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006103275-A1 | 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | SPEEDEL EXPERIMENTA AG (CH) | 2006-10-05 | — | — | WO | disclosed |
| US-5140035-A | FUNGICIDAL TRIAZOLYMETHYL-CYCLOPROPYL DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-18 | — | — | US | disclosed |