⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28153742 | 0.80 | — | — | |
| SCHEMBL24532 | 0.79 | — | — | |
| SCHEMBL1060308 | 0.79 | — | — | |
| SCHEMBL4275832 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL5932907 | 0.79 | — | — | |
| SCHEMBL3660433 | 0.75 | — | — | |
| SCHEMBL6523351 | 0.69 | — | — | |
| SCHEMBL1130061 | 0.69 | — | — | |
| SCHEMBL5206816 | 0.69 | — | — | |
| SCHEMBL25625512 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280009-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nippon Soda Co., Ltd. (JP) | 2011-02-02 | — | — | EP | disclosed |