⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2406915 | 0.89 | — | — | |
| SCHEMBL10766696 | 0.77 | — | — | |
| SCHEMBL820178 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL496707 | 0.67 | — | — | |
| SCHEMBL11466524 | 0.63 | — | — | |
| SCHEMBL331 | 0.63 | — | — | |
| SCHEMBL3648065 | 0.63 | — | — | |
| Water SCHEMBL647336 | 0.63 | — | — | |
| SCHEMBL4133917 | 0.63 | — | — | |
| SCHEMBL28305381 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116075960-A | Electrolyte additives for electrochemical cells | 纳特龙能源公司 | 2023-05-05 | — | — | CN | disclosed |
| US-20110060155-A1 | PROCESS FOR PREPARING AND METHOD OF PURIFYING ALKALI METAL AND ALKALINE EARTH METAL TRICYANOMETHANIDES | LONZA LTD (CH) | 2011-03-10 | — | — | US | disclosed |