⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25923641 | 0.85 | — | — | |
| SCHEMBL25924617 | 0.82 | — | — | |
| SCHEMBL25923645 | 0.71 | — | — | |
| SCHEMBL25858042 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL25923497 | 0.67 | — | — | |
| SCHEMBL3508955 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL19417106 | 0.64 | MAPK1 (0.37) | — | |
| SCHEMBL11691380 | 0.63 | TSHR (0.50) | — | |
| SCHEMBL2755825 | 0.62 | — | — | |
| SCHEMBL19534381 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230232827-A1 | METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2023-07-27 | — | — | US | disclosed |