⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1032114 | 1.00 | — | — | |
| SCHEMBL1031327 | 1.00 | — | — | |
| SCHEMBL24098 | 0.78 | — | — | |
| SCHEMBL1030870 | 0.78 | — | — | |
| SCHEMBL1032161 | 0.78 | — | — | |
| SCHEMBL10437034 | 0.72 | — | — | |
| SCHEMBL24504 | 0.67 | — | — | |
| SCHEMBL22943052 | 0.67 | — | — | |
| SCHEMBL726583 | 0.67 | — | — | |
| SCHEMBL4412936 | 0.67 | ALDH1A1 (0.30) | — |
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-1812389-A1 | AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006040176-A1 | AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2006-04-20 | — | — | WO | disclosed |