⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7274950 | 1.00 | — | — | |
| SCHEMBL7274959 | 1.00 | — | — | |
| SCHEMBL7274955 | 1.00 | — | — | |
| SCHEMBL1028749 | 0.83 | — | — | |
| SCHEMBL2458384 | 0.83 | — | — | |
| SCHEMBL11855190 | 0.83 | — | — | |
| SCHEMBL2458386 | 0.83 | — | — | |
| SCHEMBL13251935 | 0.83 | — | — | |
| SCHEMBL18536004 | 0.75 | — | — | |
| SCHEMBL5189185 | 0.75 | — | — |
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-2013043232-A2 | 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER | AFRAXIS, INC. (US) | 2013-03-28 | — | — | WO | disclosed |