⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292139 | 0.71 | — | — | |
| SCHEMBL19503373 | 0.67 | — | — | |
| SCHEMBL22204321 | 0.67 | — | — | |
| SCHEMBL22906112 | 0.67 | — | — | |
| SCHEMBL1126708 | 0.66 | BRD4 (0.47) | — | |
| SCHEMBL22250153 | 0.63 | — | — | |
| SCHEMBL5087170 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL12529255 | 0.63 | LMNA (0.33) | — | |
| SCHEMBL6968501 | 0.62 | TP53 (0.32) | — | |
| SCHEMBL6271490 | 0.62 | KDM4E (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019059161-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2019-03-28 | — | — | WO | disclosed |
| WO-2017083242-A1 | INHIBITORS OF SUPPRESSION OF TUMORIGENCITY 2 (ST2) AND METHODS USING THE SAME | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-05-18 | — | — | WO | disclosed |