⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8544940 | 1.00 | — | — | |
| SCHEMBL28386761 | 0.79 | TP53 (0.39) | — | |
| SCHEMBL5350522 | 0.79 | MAPT (0.41) | — | |
| SCHEMBL6397374 | 0.77 | PRKDC (0.39) | — | |
| SCHEMBL592513 | 0.75 | — | — | |
| SCHEMBL14561874 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL1864142 | 0.74 | ATM (0.36) | — | |
| Fluoride SCHEMBL9450647 | 0.73 | — | — | |
| SCHEMBL2582143 | 0.71 | — | — | |
| SCHEMBL3126756 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008126684-A2 | AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-10-23 | — | — | WO | disclosed |