⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8281095 | 0.86 | WDR5 (0.31) | — | |
| SCHEMBL4163502 | 0.84 | KCNH2 (0.31) | — | |
| SCHEMBL4766360 | 0.81 | — | — | |
| SCHEMBL5265789 | 0.81 | ALOX5AP (0.33) | — | |
| SCHEMBL5260709 | 0.79 | PDCD1 (0.34) | — | |
| SCHEMBL5227829 | 0.78 | GRIN1 (0.32) | — | |
| SCHEMBL8306199 | 0.72 | KCNH2 (0.30) | — | |
| SCHEMBL5266946 | 0.72 | PDE1A (0.31) | — | |
| SCHEMBL5263590 | 0.72 | — | — | |
| SCHEMBL5886357 | 0.72 | BRD4 (0.33) | — |
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-1619948-A4 | SUSTITUTED IMIDAZOLOPYRAZINE AND TRIAZOLOPYRAZINE DERIVATIVES: GABAA RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2007-02-14 | — | — | EP | disclosed |
| US-20060247245-A1 | Substituted imidazolopyrazine and triazolopyrazine derivatives: gabaa receptor ligands | NEUROGEN CORPORATION | 2006-11-02 | — | — | US | disclosed |
| EP-1619948-A1 | SUSTITUTED IMIDAZOLOPYRAZINE AND TRIAZOLOPYRAZINE DERIVATIVES: GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004107863-A1 | SUSTITUTED IMIDAZOLOPYRAZINE AND TRIAZOLOPYRAZINE DERIVATIVES: GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2004-12-16 | — | — | WO | disclosed |