⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17236496 | 0.76 | — | — | |
| SCHEMBL3700395 | 0.74 | — | — | |
| SCHEMBL5046941 | 0.69 | — | — | |
| SCHEMBL23852362 | 0.66 | HIF1A (0.42) | — | |
| SCHEMBL28728089 | 0.66 | FAAH (0.43) | — | |
| SCHEMBL28634979 | 0.66 | FAAH (0.43) | — | |
| SCHEMBL23851727 | 0.66 | — | — | |
| SCHEMBL28635750 | 0.66 | FAAH (0.43) | — | |
| SCHEMBL23852973 | 0.62 | — | — | |
| SCHEMBL5246 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2207788-A1 | STEROIDAL [3, 2-C]PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY | AstraZeneca AB (SE) | 2010-07-21 | — | — | EP | claimed |
| WO-2009044200-A1 | STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY | ASTRAZENECA AB (SE) | 2009-04-09 | — | — | WO | claimed |