⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1328 | 0.94 | — | — | |
| SCHEMBL28907156 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27739220 | 0.89 | — | — | |
| SCHEMBL27724606 | 0.89 | — | — | |
| SCHEMBL28175530 | 0.89 | — | — | |
| SCHEMBL28232724 | 0.89 | — | — | |
| SCHEMBL25329342 | 0.77 | — | — | |
| SCHEMBL27908221 | 0.77 | — | — | |
| SCHEMBL27281822 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL27484150 | 0.77 | — | — |
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-104945575-A | Method for preparing polycarboxylate-type water reducing agent for silica-fume-containing unshaped refractory | WUHU HONGMA NEW MATERIAL CO LTD | 2015-09-30 | — | — | CN | disclosed |