⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27825406 | 0.70 | — | — | |
| Iodide SCHEMBL27565876 | 0.69 | — | — | |
| SCHEMBL1618636 | 0.69 | — | — | |
| SCHEMBL28285387 | 0.63 | — | — | |
| SCHEMBL6044400 | 0.61 | — | — | |
| SCHEMBL1618622 | 0.60 | — | — | |
| SCHEMBL6938192 | 0.59 | — | — | |
| SCHEMBL479907 | 0.58 | — | — | |
| SCHEMBL1618224 | 0.57 | — | — | |
| SCHEMBL3837718 | 0.57 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6352994-B2 | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 2002-03-05 | — | — | US | disclosed |
| US-20010018438-A1 | Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands | MERCK SHARP & DOHME LIMITED | 2001-08-30 | — | — | US | disclosed |
| US-6200982-B1 | USEFUL IN THERAPY OF DELETERIOUS MENTAL STATES | MERCK & DOHME LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| EP-0994873-A1 | SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABA A?ALPHA 2/3 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-26 | — | — | EP | disclosed |
| WO-1998055480-A1 | SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABAAALPHA 2/3 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-10 | — | — | WO | disclosed |