⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5315441 | 0.77 | — | — | |
| SCHEMBL23904 | 0.67 | — | — | |
| SCHEMBL4454206 | 0.62 | — | — | |
| SCHEMBL50539 | 0.62 | — | — | |
| Fluoride SCHEMBL27979818 | 0.59 | — | — | |
| Fluoride SCHEMBL27829418 | 0.59 | — | — | |
| SCHEMBL1150 | 0.57 | — | — | |
| SCHEMBL379663 | 0.57 | — | — | |
| SCHEMBL1553484 | 0.57 | — | — | |
| SCHEMBL3185118 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3129360-B1 | DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES | BASF SE (DE) | 2018-10-17 | — | — | EP | claimed |
| US-20220143020-A1 | 2-AMINOQUINAZOLINONE DERIVATIVE | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2022-05-12 | — | — | US | disclosed |
| WO-2017186700-A1 | CRYSTALLINE FORMS OF N-[2-(3-HYDROXY-3-METHYLBUTYL)-6-(2-HYDROXYPROPAN-2-YL)-2H-INDAZOL-5-YL]-6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-11-02 | — | — | WO | disclosed |
| EP-2760285-B1 | INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF | SAMUMED LLC (US) | 2017-06-21 | — | — | EP | disclosed |