⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22899722 | 0.95 | — | — | |
| SCHEMBL22899724 | 0.90 | — | — | |
| SCHEMBL29613823 | 0.86 | — | — | |
| SCHEMBL29613886 | 0.82 | — | — | |
| SCHEMBL29613862 | 0.79 | — | — | |
| SCHEMBL29613918 | 0.78 | — | — | |
| SCHEMBL22899610 | 0.78 | — | — | |
| SCHEMBL29613939 | 0.78 | — | — | |
| SCHEMBL29613877 | 0.76 | — | — | |
| SCHEMBL23007562 | 0.73 | NT5E (0.40) | — |
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-2021011689-A1 | CD73 INHIBITORS | ORIC PHARMACEUTICALS, INC. (US) | 2021-01-21 | — | — | WO | disclosed |