⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4737389 | 0.97 | — | — | |
| Phenol SCHEMBL2283813 | 0.79 | THRB (0.39) | — | |
| SCHEMBL19920856 | 0.76 | HCAR2 (0.36) | — | |
| SCHEMBL7207887 | 0.73 | — | — | |
| SCHEMBL28401118 | 0.69 | — | — | |
| SCHEMBL28036079 | 0.68 | — | — | |
| Propene SCHEMBL4299697 | 0.68 | CPA1 (0.31) | — | |
| SCHEMBL19920857 | 0.68 | HCAR2 (0.46) | — | |
| Acrylic Acid Methyl Ester SCHEMBL28016898 | 0.68 | HCAR2 (0.42) | — | |
| SCHEMBL3145325 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112501640-B | Battery system for converting nitrate wastewater into ammonia | 东莞理工学院 | 2023-01-06 | — | — | CN | disclosed |