⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL366760 | 1.00 | — | — | |
| SCHEMBL17735509 | 0.80 | — | — | |
| SCHEMBL7519756 | 0.79 | — | — | |
| SCHEMBL7520213 | 0.79 | — | — | |
| SCHEMBL7525888 | 0.79 | — | — | |
| SCHEMBL7524117 | 0.79 | — | — | |
| SCHEMBL7519749 | 0.79 | — | — | |
| SCHEMBL11508764 | 0.76 | — | — | |
| SCHEMBL17690318 | 0.76 | — | — | |
| SCHEMBL7519259 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009074677-A2 | PYRAZOLOTRIAZINES | 4SC AG (DE) | 2009-06-18 | — | — | WO | disclosed |
| EP-2070932-A1 | Pyrazolotriazines | 4SC AG (DE) | 2009-06-17 | — | — | EP | disclosed |