⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5610679 | 0.76 | — | — | |
| SCHEMBL1109982 | 0.76 | — | — | |
| SCHEMBL1110140 | 0.74 | — | — | |
| SCHEMBL6722196 | 0.70 | TP53 (0.30) | — | |
| SCHEMBL22260775 | 0.65 | CA5A (0.46) | — | |
| Sulfuric Acid SCHEMBL23320623 | 0.64 | CA5A (0.46) | — | |
| SCHEMBL2580674 | 0.64 | — | — | |
| SCHEMBL28793209 | 0.62 | CA5A (0.42) | — | |
| SCHEMBL10856851 | 0.61 | — | — | |
| SCHEMBL30314 | 0.61 | — | — |
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 |