⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12824734 | 0.73 | — | — | |
| SCHEMBL11008057 | 0.73 | — | — | |
| SCHEMBL24869232 | 0.73 | — | — | |
| SCHEMBL18519461 | 0.73 | — | — | |
| SCHEMBL14495903 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL26826146 | 0.73 | — | — | |
| SCHEMBL12824735 | 0.71 | — | — | |
| SCHEMBL21236605 | 0.71 | — | — | |
| SCHEMBL19079899 | 0.71 | — | — | |
| SCHEMBL17176817 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125540-A1 | PYRAZOLE-1(2H)-PHTHALAZINONE COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-07-06 | — | — | WO | disclosed |
| US-20210253577-A1 | BIODEFENSE AGENTS | BioVersys AG (CH) | 2021-08-19 | — | — | US | disclosed |
| WO-2021158891-A1 | SALTS AND SOLID FORMS AND PROCESSES OF PREPARING A PI3K INHIBITOR | INCYTE CORPORATION (US) | 2021-08-12 | — | — | WO | disclosed |
| WO-2021136390-A1 | BLOOD COAGULATION FACTOR XIA INHIBITOR | 上海京新生物医药有限公司 | 2021-07-08 | — | — | WO | disclosed |
| US-20190119224-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2019-04-25 | — | — | US | disclosed |
| WO-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |