⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13940296 | 1.00 | — | — | |
| SCHEMBL16549575 | 1.00 | — | — | |
| SCHEMBL24549323 | 0.84 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL24235270 | 0.84 | — | — | |
| SCHEMBL9090010 | 0.82 | — | — | |
| SCHEMBL15317974 | 0.82 | — | — | |
| SCHEMBL17553813 | 0.82 | — | — | |
| SCHEMBL16508759 | 0.82 | — | — | |
| SCHEMBL10198490 | 0.81 | — | — | |
| SCHEMBL25105651 | 0.78 | — | — |
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-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-20210253614-A1 | COMPOSITIONS AND METHODS FOR INHIBITING CD73 | PELOTON THERAPEUTICS, INC. (US) | 2021-08-19 | — | — | US | disclosed |