⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14000168 | 1.00 | — | — | |
| SCHEMBL14000270 | 1.00 | — | — | |
| SCHEMBL2567708 | 0.85 | — | — | |
| SCHEMBL17338791 | 0.85 | — | — | |
| SCHEMBL17196020 | 0.85 | — | — | |
| SCHEMBL25417329 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL16065871 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL19976614 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL15680675 | 0.82 | — | — | |
| SCHEMBL2072181 | 0.74 | CYP2C9 (0.35) | — |
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-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 |