⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13385439 | 0.79 | — | — | |
| SCHEMBL14289068 | 0.79 | SIGMAR1 (0.39) | — | |
| Iodide SCHEMBL11699721 | 0.77 | ALDH1A1 (0.36) | — | |
| Iodide SCHEMBL11583029 | 0.77 | — | — | |
| Iodide SCHEMBL11699715 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL13385436 | 0.75 | NPC1 (0.33) | — | |
| SCHEMBL24863870 | 0.74 | — | — | |
| SCHEMBL11509259 | 0.74 | NPC1 (0.35) | — | |
| SCHEMBL11314766 | 0.71 | NPC1 (0.33) | — | |
| SCHEMBL11314786 | 0.71 | NPC1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022266015-A1 | FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS | KUMQUAT BIOSCIENCES INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| EP-3484854-B1 | APOPTOSIS INHIBITORS | NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019154365-A1 | ATR INHIBITOR AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2019-08-15 | — | — | WO | disclosed |
| WO-2019143719-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2019-07-25 | — | — | WO | disclosed |
| WO-2018014802-A1 | APOPTOSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-01-25 | — | — | WO | disclosed |