⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30154986 | 0.79 | — | — | |
| SCHEMBL762583 | 0.79 | — | — | |
| SCHEMBL28300406 | 0.79 | NOS3 (0.52) | — | |
| SCHEMBL94027 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL4046885 | 0.77 | NOS3 (0.41) | — | |
| Hydrochloric Acid SCHEMBL27623348 | 0.77 | NOS3 (0.41) | — | |
| SCHEMBL3585029 | 0.77 | — | — | |
| SCHEMBL3354990 | 0.75 | — | — | |
| SCHEMBL111804 | 0.75 | — | — | |
| SCHEMBL7878469 | 0.75 | — | — |
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-2023111005-A1 | CARBOXAMIDE SUBSTITUTED HETEROAROMATIC COMPOUNDS FOR TREATING CANCER | WMT AG (DE) | 2023-06-22 | — | — | WO | disclosed |
| WO-2023111005-A1 | CARBOXAMIDE SUBSTITUTED HETEROAROMATIC COMPOUNDS FOR TREATING CANCER | WMT AG (DE) | 2023-06-22 | — | — | WO | disclosed |
| WO-2022060094-A1 | PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 주식회사 엑세쏘바이오파마 | 2022-03-24 | — | — | WO | disclosed |
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |