⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21651945 | 0.68 | — | — | |
| SCHEMBL22148508 | 0.67 | — | — | |
| SCHEMBL19756465 | 0.67 | CYP2D6 (0.31) | — | |
| SCHEMBL9267789 | 0.66 | SLC22A2 (0.31) | — | |
| SCHEMBL23992270 | 0.66 | SLC22A2 (0.31) | — | |
| SCHEMBL24733209 | 0.66 | SLC22A2 (0.31) | — | |
| SCHEMBL2741648 | 0.66 | HRH3 (0.40) | — | |
| SCHEMBL12430402 | 0.66 | SLC22A2 (0.31) | — | |
| SCHEMBL23889214 | 0.65 | — | — | |
| SCHEMBL19188042 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230039553-A1 | CD73 COMPOUNDS | GILEAD SCIENCES, INC. | 2023-02-09 | — | — | US | disclosed |
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |