⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6876219 | 0.73 | — | — | |
| SCHEMBL6876223 | 0.73 | — | — | |
| SCHEMBL2921971 | 0.71 | — | — | |
| SCHEMBL3341146 | 0.65 | — | — | |
| SCHEMBL3341150 | 0.65 | — | — | |
| SCHEMBL2642420 | 0.60 | — | — | |
| SCHEMBL24680 | 0.58 | — | — | |
| SCHEMBL13167839 | 0.57 | — | — | |
| SCHEMBL28246303 | 0.57 | — | — | |
| SCHEMBL13167838 | 0.56 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030069246-A1 | Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines | NEUROGEN CORPORATION (US) | 2003-04-10 | — | — | US | claimed |
| EP-1218379-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2002-07-03 | — | — | EP | claimed |
| US-6372743-B1 | EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | NEUROGEN CORPORATION | 2002-04-16 | — | — | US | claimed |
| WO-2001023387-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2001-04-05 | — | — | WO | claimed |
| US-20030069246-A1 | Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines | NEUROGEN CORPORATION (US) | 2003-04-10 | — | — | US | disclosed |
| EP-1218379-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2002-07-03 | — | — | EP | disclosed |
| US-6372743-B1 | EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | NEUROGEN CORPORATION | 2002-04-16 | — | — | US | disclosed |
| WO-2001023387-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2001-04-05 | — | — | WO | disclosed |