⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1832028 | 0.78 | — | — | |
| SCHEMBL1283795 | 0.75 | — | — | |
| SCHEMBL18913927 | 0.71 | — | — | |
| SCHEMBL22062499 | 0.71 | — | — | |
| SCHEMBL12819844 | 0.71 | — | — | |
| SCHEMBL22923470 | 0.69 | — | — | |
| SCHEMBL21316448 | 0.69 | — | — | |
| SCHEMBL19546697 | 0.69 | — | — | |
| SCHEMBL17294430 | 0.67 | — | — | |
| SCHEMBL14885162 | 0.67 | CARM1 (0.30) | — |
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-3421465-B1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO LTD (CN) | 2022-10-26 | — | — | EP | disclosed |
| WO-2022221704-A1 | COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER | HOTSPOT THERAPEUTICS, INC. (US) | 2022-10-20 | — | — | WO | disclosed |
| WO-2019073253-A1 | MAP4K4 INHIBITORS | IMPERIAL INNOVATIONS LIMITED (GB) | 2019-04-18 | — | — | WO | disclosed |
| WO-2018102384-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2018-06-07 | — | — | WO | disclosed |