⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2652952 | 0.82 | — | — | |
| SCHEMBL26089487 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL216366 | 0.75 | — | — | |
| SCHEMBL1605045 | 0.75 | — | — | |
| SCHEMBL2650182 | 0.73 | — | — | |
| Water SCHEMBL21725015 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL3967024 | 0.73 | — | — | |
| SCHEMBL5860801 | 0.73 | — | — | |
| SCHEMBL9935879 | 0.73 | — | — | |
| SCHEMBL15293930 | 0.71 | THRB (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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7005431-B2 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2006-02-28 | — | — | US | disclosed |
| EP-1343788-B1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2005-11-23 | — | — | EP | disclosed |
| EP-1409488-B1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2005-11-16 | — | — | EP | disclosed |
| US-6936608-B2 | Imidazo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. | 2005-08-30 | — | — | US | disclosed |
| US-20050165023-A1 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2005-07-28 | — | — | US | disclosed |
| EP-1504007-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2005-02-09 | — | — | EP | disclosed |
| EP-1409488-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-04-21 | — | — | EP | disclosed |
| US-6696444-B2 | NEUROTRANSMITTER ANTAGONISTS COMPRISING COMPOUNDS SUCH AS 4,2'-DIFLUORO-5'-(3-(1-FLUORO-1-METHYLETHYL)IMIDAZO(1,2-B)(1,2 ,4) TRIAZIN-7-YL)BIPHENYL-2-CARBONITRILE, ADMINISTERED FOR THE PROPHYLAXIS OF HEADACHES OR AS ANTICONVULSANTS | MERCK SHARPE & DOHME (GB) | 2004-02-24 | — | — | US | disclosed |
| US-20040023964-A1 | Imidazo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2004-02-05 | — | — | US | disclosed |
| US-20030216395-A1 | Imidazo-triazine derivatives as ligands for GABA receptors | CARLING WILLIAM ROBERT (GB) | 2003-11-20 | — | — | US | disclosed |
| WO-2003093272-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-11-13 | — | — | WO | disclosed |
| EP-1343788-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6617326-B2 | For therapy and prophylaxis of adverse conditions of the central nervous system, including anxiety and convulsions | MERCK SHARP & DOHME LTD. | 2003-09-09 | — | — | US | disclosed |
| US-20030055060-A1 | Imidazo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. (GB) | 2003-03-20 | — | — | US | disclosed |
| WO-2003008418-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-01-30 | — | — | WO | disclosed |
| WO-2002038568-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-05-16 | — | — | WO | disclosed |