⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11049038 | 0.83 | — | — | |
| SCHEMBL30917991 | 0.78 | — | — | |
| SCHEMBL8735126 | 0.75 | — | — | |
| SCHEMBL3628169 | 0.65 | — | — | |
| SCHEMBL27883711 | 0.65 | — | — | |
| SCHEMBL13399574 | 0.65 | — | — | |
| SCHEMBL25134579 | 0.64 | — | — | |
| SCHEMBL30607140 | 0.63 | — | — | |
| SCHEMBL3068640 | 0.61 | — | — | |
| SCHEMBL12115193 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11136333-B2 | Functionalized pyrano[2,3-D]pyrimidin-7-one derivatives and methods for their preparation and use | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2021-10-05 | — | — | US | claimed |