⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12849957 | 0.71 | — | — | |
| SCHEMBL14985751 | 0.71 | — | — | |
| SCHEMBL12715376 | 0.71 | — | — | |
| SCHEMBL15601428 | 0.71 | — | — | |
| SCHEMBL27284347 | 0.69 | — | — | |
| SCHEMBL15382249 | 0.69 | — | — | |
| SCHEMBL8179076 | 0.69 | — | — | |
| SCHEMBL26646659 | 0.69 | — | — | |
| SCHEMBL27541714 | 0.69 | — | — | |
| SCHEMBL14220804 | 0.69 | — | — |
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-2015164508-A1 | SUBSTITUTED [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS | DART NEUROSCIENCE, LLC (US) | 2015-10-29 | — | — | WO | disclosed |