⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30587659 | 0.73 | — | — | |
| SCHEMBL348415 | 0.69 | — | — | |
| SCHEMBL31522812 | 0.69 | — | — | |
| SCHEMBL20511468 | 0.69 | — | — | |
| SCHEMBL22400781 | 0.69 | — | — | |
| SCHEMBL910214 | 0.69 | — | — | |
| SCHEMBL22946944 | 0.67 | — | — | |
| SCHEMBL20707904 | 0.67 | — | — | |
| SCHEMBL15139542 | 0.67 | — | — | |
| SCHEMBL917482 | 0.67 | — | — |
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-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |