⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7455589 | 0.89 | — | — | |
| SCHEMBL7450159 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL28193856 | 0.73 | HTT (0.36) | — | |
| SCHEMBL7444504 | 0.72 | GRIN2B (0.37) | — | |
| SCHEMBL28193295 | 0.70 | CCNB2 (0.33) | — | |
| SCHEMBL28193851 | 0.69 | HTT (0.34) | — | |
| SCHEMBL28193908 | 0.68 | HTT (0.40) | — | |
| SCHEMBL28193478 | 0.67 | CCNB2 (0.36) | — | |
| SCHEMBL7464101 | 0.67 | MPO (0.32) | — | |
| SCHEMBL7022293 | 0.67 | CHEK1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165557-A1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORPORATION (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059905-A1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORPORATION (US) | 2000-10-12 | — | — | WO | disclosed |