⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1545979 | 0.78 | — | — | |
| SCHEMBL21045005 | 0.78 | GABRA1 (0.39) | — | |
| SCHEMBL1723783 | 0.74 | NISCH (0.40) | — | |
| SCHEMBL2894514 | 0.73 | — | — | |
| SCHEMBL9295897 | 0.72 | — | — | |
| SCHEMBL8521841 | 0.70 | PTGS2 (0.35) | — | |
| SCHEMBL9545554 | 0.68 | CHRNB2 (0.31) | — | |
| SCHEMBL6176 | 0.67 | — | — | |
| SCHEMBL1545978 | 0.67 | — | — | |
| SCHEMBL11806180 | 0.66 | GABRA1 (0.38) | — |
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-1809597-B1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2012-01-11 | — | — | EP | disclosed |
| EP-2311803-A1 | Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | Abbott GmbH & Co. KG (DE) | 2011-04-20 | — | — | EP | disclosed |