⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14166272 | 0.91 | — | — | |
| SCHEMBL4765982 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL4791678 | 0.82 | NOS2 (0.33) | — | |
| SCHEMBL5783490 | 0.76 | PDE10A (0.33) | — | |
| SCHEMBL4762771 | 0.75 | PDE10A (0.32) | — | |
| SCHEMBL4763960 | 0.75 | — | — | |
| SCHEMBL5782870 | 0.75 | PDE6D (0.32) | — | |
| SCHEMBL4771762 | 0.74 | NOS2 (0.36) | — | |
| SCHEMBL5886298 | 0.74 | BRD4 (0.32) | — | |
| SCHEMBL4764107 | 0.74 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20080139580-A1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | US | disclosed |
| US-20080139580-A1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | US | disclosed |
| US-7271170-B2 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-7271170-B2 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |