⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1028302 | 1.00 | — | — | |
| SCHEMBL1031435 | 1.00 | — | — | |
| SCHEMBL7893175 | 0.78 | — | — | |
| SCHEMBL2036521 | 0.73 | — | — | |
| SCHEMBL1316401 | 0.73 | — | — | |
| SCHEMBL620238 | 0.73 | — | — | |
| SCHEMBL698274 | 0.73 | — | — | |
| SCHEMBL142173 | 0.71 | — | — | |
| SCHEMBL4328946 | 0.71 | — | — | |
| SCHEMBL2613472 | 0.70 | — | — |
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-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006040179-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2006-04-20 | — | — | WO | disclosed |