⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14947640 | 0.84 | HSD11B1 (0.36) | — | |
| SCHEMBL14947641 | 0.83 | CHRNB2 (0.34) | — | |
| SCHEMBL15321829 | 0.69 | OPRM1 (0.30) | — | |
| SCHEMBL14947631 | 0.66 | SLC6A2 (0.35) | — | |
| SCHEMBL2591223 | 0.65 | KCNH2 (0.34) | — | |
| SCHEMBL14947627 | 0.65 | REN (0.37) | — | |
| SCHEMBL14947632 | 0.65 | CHRNB2 (0.36) | — | |
| SCHEMBL12178868 | 0.64 | — | — | |
| SCHEMBL14947622 | 0.63 | OPRL1 (0.37) | — | |
| SCHEMBL23208259 | 0.63 | OPRL1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9365564-B2 | 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 | THE UNIVERSITY OF EDINBURGH (GB) | 2016-06-14 | — | — | US | disclosed |
| US-20130123268-A1 | 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 | THE UNIVERSITY OF EDINBURGH (GB) | 2013-05-16 | — | — | US | disclosed |