⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14000269 | 1.00 | — | — | |
| SCHEMBL16666871 | 1.00 | — | — | |
| SCHEMBL13774718 | 1.00 | — | — | |
| SCHEMBL16885218 | 0.78 | — | — | |
| SCHEMBL15692316 | 0.75 | HSD11B1 (0.33) | — | |
| SCHEMBL4095454 | 0.75 | HSD11B1 (0.33) | — | |
| SCHEMBL16666621 | 0.75 | HSD11B1 (0.33) | — | |
| SCHEMBL13774717 | 0.75 | HSD11B1 (0.33) | — | |
| SCHEMBL12777784 | 0.74 | — | — | |
| SCHEMBL1003675 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2865666-B1 | HEXAHYDROPENTALENO DERIVATIVES, PREPARATION METHOD AND USE IN MEDICINE THEREOF | SUNSHINE LAKE PHARMA CO LTD (CN) | 2017-05-31 | — | — | EP | disclosed |
| US-20090176847-A1 | Dicyclooctane Derivatives, Preparation Processes and Medical Uses Thereof | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2009-07-09 | — | — | US | disclosed |
| EP-2006284-A1 | DICYCLOOCTANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF | Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) | 2008-12-24 | — | — | EP | disclosed |