⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28463757 | 0.89 | — | — | |
| Methane SCHEMBL27809225 | 0.89 | — | — | |
| SCHEMBL34660 | 0.89 | — | — | |
| SCHEMBL15541586 | 0.89 | — | — | |
| SCHEMBL27607333 | 0.80 | — | — | |
| SCHEMBL27945385 | 0.80 | — | — | |
| SCHEMBL29077836 | 0.80 | — | — | |
| Water SCHEMBL27308925 | 0.80 | — | — | |
| SCHEMBL28628035 | 0.80 | — | — | |
| SCHEMBL1171864 | 0.78 | — | — |
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-107098444-B | Novel electric flocculation device and electric flocculation method | 深圳清华大学研究院 | 2020-06-23 | — | — | CN | disclosed |