⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4401210 | 1.00 | — | — | |
| SCHEMBL80093 | 1.00 | — | — | |
| SCHEMBL28073270 | 0.74 | — | — | |
| SCHEMBL2561211 | 0.70 | — | — | |
| SCHEMBL16513221 | 0.70 | — | — | |
| SCHEMBL120446 | 0.70 | — | — | |
| SCHEMBL19126 | 0.70 | — | — | |
| SCHEMBL19125 | 0.70 | — | — | |
| SCHEMBL16513220 | 0.70 | — | — | |
| SCHEMBL21250 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8202868-B2 | 4-piperazinyl-pyrimidine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor | ABBOTT GMBH & CO. KG (DE) | 2012-06-19 | — | — | US | disclosed |
| EP-1778684-B1 | 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2009-12-16 | — | — | EP | disclosed |
| US-20090264437-A1 | 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor | ABBOTT GMBH & CO. KG (DE) | 2009-10-22 | — | — | US | disclosed |