⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13161713 | 0.83 | BACE1 (0.41) | — | |
| SCHEMBL9531542 | 0.80 | KCNH2 (0.44) | — | |
| SCHEMBL1155609 | 0.79 | KCNH2 (0.52) | — | |
| SCHEMBL8678419 | 0.78 | — | — | |
| SCHEMBL14605260 | 0.78 | — | — | |
| SCHEMBL14639405 | 0.78 | — | — | |
| SCHEMBL5823571 | 0.74 | ADRA2B (0.31) | — | |
| SCHEMBL5200436 | 0.74 | GABRA5 (0.38) | — | |
| SCHEMBL4167148 | 0.72 | AXL (0.41) | — | |
| SCHEMBL6364189 | 0.72 | HTT (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111163638-B | Pesticidal compositions and methods | 美国陶氏益农公司 | 2023-07-25 | — | — | CN | disclosed |
| US-10961216-B2 | Small molecule modulators of the androgen receptor | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2021-03-30 | — | — | US | disclosed |
| US-20190202800-A1 | SMALL MOLECULE MODULATORS OF THE ANDROGEN RECEPTOR | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-07-04 | — | — | US | disclosed |
| WO-2012078982-A2 | XZH-5 INHIBITS CONSTITUTIVE AND INTERLEUKIN-6-INDUCED STAT3 PHOSPHORYLATION IN HUMAN HEPATOCELLULAR CARCINOMA CELLS | THE OHIO STATE UNIVERSITY (US) | 2012-06-14 | — | — | WO | disclosed |
| US-8008488-B2 | Pyrimidin-2-one compounds and their use as dopamine D3 receptor ligands | ABBOTT GMBH & CO. KG (DE) | 2011-08-30 | — | — | US | disclosed |
| EP-1601659-B1 | PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | ABBOTT GMBH & CO KG (DE) | 2008-01-16 | — | — | EP | disclosed |
| US-20060235004-A1 | Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands | ABBOT GMBH & CO. KG (DE) | 2006-10-19 | — | — | US | disclosed |
| EP-1601659-A1 | PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | Abbott GmbH & Co. KG (DE) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004080981-A1 | PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | ABBOTT GMBH & CO. KG (DE) | 2004-09-23 | — | — | WO | disclosed |
| EP-0333832-A1 | ARTIFICIAL DNA BASE PAIR ANALOGUES | TEMPLE UNIVERSITY (US) | 1989-09-27 | — | — | EP | disclosed |
| WO-1989002921-A1 | ARTIFICIAL DNA BASE PAIR ANALOGUES | TEMPLE UNIVERSITY (US) | 1989-04-06 | — | — | WO | disclosed |