⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42594 | 0.72 | BCHE (0.53) | — | |
| SCHEMBL29559272 | 0.72 | BCHE (0.53) | — | |
| SCHEMBL21591634 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL27567277 | 0.70 | BCHE (0.52) | — | |
| SCHEMBL28290991 | 0.70 | BCHE (0.52) | — | |
| SCHEMBL27344673 | 0.70 | BCHE (0.52) | — | |
| Methane SCHEMBL27925661 | 0.70 | BCHE (0.52) | — | |
| Hydrochloric Acid SCHEMBL27656763 | 0.70 | BCHE (0.52) | — | |
| SCHEMBL9850248 | 0.69 | ALDH1A1 (0.57) | — | |
| SCHEMBL20774316 | 0.69 | PDGFRB (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730676-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | claimed |
| US-20030013716-A1 | Pyrazino-pyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2003-01-16 | — | — | US | claimed |
| EP-1250338-A1 | PYRAZINO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2002-10-23 | — | — | EP | claimed |
| WO-2001051492-A1 | PYRAZINO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-19 | — | — | WO | claimed |
| US-6730676-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | disclosed |
| US-20030013716-A1 | Pyrazino-pyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2003-01-16 | — | — | US | disclosed |