⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577210 | 0.79 | ACHE (0.46) | — | |
| SCHEMBL482240 | 0.79 | HAO1 (0.55) | — | |
| SCHEMBL1615865 | 0.77 | — | — | |
| SCHEMBL11200483 | 0.77 | — | — | |
| SCHEMBL25416404 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL776328 | 0.75 | — | — | |
| SCHEMBL31325156 | 0.75 | — | — | |
| SCHEMBL10940299 | 0.75 | — | — | |
| SCHEMBL1145703 | 0.75 | — | — | |
| SCHEMBL19042227 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3409278-B1 | HETEROCYCLIC PROTEIN KINASE INHIBITORS | TOLERO PHARMACEUTICALS INC (US) | 2020-09-16 | — | — | EP | disclosed |
| WO-2018030466-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 | 2018-02-15 | — | — | WO | disclosed |
| WO-2017097215-A1 | WNT PATHWAY INHIBITOR EMBEDDED WITH UREAS STRUCTURE | 杭州雷索药业有限公司 | 2017-06-15 | — | — | WO | disclosed |
| WO-2017021805-A1 | 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS | PFIZER INC. (US) | 2017-02-09 | — | — | WO | disclosed |
| EP-2826826-A1 | Composition for forming a coating type BPSG film, substrate formed a film by said composition, and patterning process using said composition | Shin-Etsu Chemical Co., Ltd. (JP) | 2015-01-21 | — | — | EP | disclosed |