⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1355649 | 1.00 | — | — | |
| SCHEMBL9119634 | 0.83 | — | — | |
| SCHEMBL19360271 | 0.83 | — | — | |
| SCHEMBL27728683 | 0.83 | — | — | |
| SCHEMBL11545547 | 0.83 | TDP1 (0.40) | — | |
| SCHEMBL6937645 | 0.81 | — | — | |
| SCHEMBL11871550 | 0.78 | — | — | |
| SCHEMBL27782061 | 0.76 | — | — | |
| SCHEMBL8201812 | 0.74 | — | — | |
| SCHEMBL11574845 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3878278-A1 | METHOD FOR CONTROLLING DISEASES IN SMALL GRAIN CEREALS, SEED OF SMALL GRAIN CEREALS, AND METHOD FOR SUPPRESSING LODGING DAMAGE IN SMALL GRAIN CEREALS | Kumiai Chemical Industry Co., Ltd. (JP) | 2021-09-15 | — | — | EP | disclosed |
| EP-3717461-A1 | A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF | OAT Agrio Co., Ltd. (JP) | 2020-10-07 | — | — | EP | disclosed |