⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10790809 | 0.71 | — | — | |
| SCHEMBL3799377 | 0.68 | — | — | |
| SCHEMBL9418545 | 0.65 | — | — | |
| SCHEMBL8883510 | 0.65 | — | — | |
| SCHEMBL19709813 | 0.64 | — | — | |
| SCHEMBL3282086 | 0.62 | — | — | |
| SCHEMBL15658012 | 0.60 | — | — | |
| SCHEMBL949685 | 0.59 | — | — | |
| SCHEMBL13842047 | 0.59 | — | — | |
| SCHEMBL1782458 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1409488-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003093273-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-11-13 | — | — | WO | disclosed |
| WO-2003008418-A1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2003-01-30 | — | — | WO | disclosed |