⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4765543 | 0.91 | NPC1 (0.32) | — | |
| SCHEMBL4764126 | 0.90 | KCNH2 (0.31) | — | |
| SCHEMBL4762712 | 0.87 | — | — | |
| SCHEMBL4762445 | 0.87 | KCNH2 (0.34) | — | |
| SCHEMBL4762725 | 0.87 | KCNH2 (0.31) | — | |
| SCHEMBL4762713 | 0.87 | KCNH2 (0.31) | — | |
| SCHEMBL4763605 | 0.87 | GABRA1 (0.33) | — | |
| SCHEMBL4765445 | 0.87 | — | — | |
| SCHEMBL4762562 | 0.86 | KCNH2 (0.30) | — | |
| SCHEMBL4762717 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005012306-A2 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-10 | — | — | WO | disclosed |