⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14332173 | 0.79 | EGLN3 (0.40) | — | |
| SCHEMBL4249454 | 0.76 | POLB (0.50) | — | |
| SCHEMBL7467012 | 0.76 | — | — | |
| SCHEMBL6898380 | 0.76 | — | — | |
| SCHEMBL28168250 | 0.74 | POLB (0.46) | — | |
| SCHEMBL12900040 | 0.74 | POLB (0.46) | — | |
| SCHEMBL12259509 | 0.73 | CYP19A1 (0.38) | — | |
| SCHEMBL12251302 | 0.73 | CYP19A1 (0.38) | — | |
| SCHEMBL171184 | 0.73 | — | — | |
| SCHEMBL1082326 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| US-6476030-B1 | Pyrazolo-triazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME LTD. | 2002-11-05 | — | — | US | disclosed |
| EP-1121361-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | Merck Sharp & Dohme Limited (GB) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023449-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-04-27 | — | — | WO | disclosed |