⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2657106 | 1.00 | — | — | |
| SCHEMBL1531224 | 0.84 | — | — | |
| SCHEMBL4278362 | 0.77 | HCAR2 (0.38) | — | |
| SCHEMBL14347792 | 0.77 | — | — | |
| SCHEMBL5599627 | 0.75 | HCAR2 (0.76) | — | |
| SCHEMBL8525134 | 0.74 | COMT (0.52) | — | |
| SCHEMBL15634129 | 0.72 | L3MBTL1 (0.55) | — | |
| SCHEMBL26448116 | 0.72 | HPGD (0.40) | — | |
| SCHEMBL22030206 | 0.69 | HCAR3 (0.37) | — | |
| SCHEMBL1531197 | 0.67 | HCAR2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6872720-B2 | Pyrazolo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2005-03-29 | — | — | US | disclosed |
| US-20030060467-A1 | Pyrazolo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2003-03-27 | — | — | US | disclosed |
| EP-1282623-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2003-02-12 | — | — | EP | disclosed |
| WO-2001077111-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-10-18 | — | — | WO | disclosed |