⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27313048 | 0.81 | — | — | |
| SCHEMBL23938052 | 0.77 | — | — | |
| SCHEMBL20867872 | 0.77 | — | — | |
| SCHEMBL20070439 | 0.74 | SLC6A2 (0.32) | — | |
| SCHEMBL22148508 | 0.72 | — | — | |
| SCHEMBL24262972 | 0.72 | ATM (0.31) | — | |
| SCHEMBL14930349 | 0.71 | — | — | |
| SCHEMBL23570097 | 0.70 | KMT2A (0.31) | — | |
| SCHEMBL20068890 | 0.70 | — | — | |
| SCHEMBL23257878 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023239710-A1 | BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS | ONKURE, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023088441-A1 | KIF18A INHIBITOR | 微境生物医药科技(上海)有限公司 | 2023-05-25 | — | — | WO | disclosed |
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| WO-2020132648-A1 | KIF18A INHIBITORS | AMGEN INC. (US) | 2020-06-25 | — | — | WO | disclosed |