⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28170111 | 1.00 | — | — | |
| SCHEMBL31376902 | 0.91 | — | — | |
| SCHEMBL27076 | 0.91 | — | — | |
| Hydrogen Sulfide SCHEMBL9496497 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL7960184 | 0.83 | CA1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28903344 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL2222834 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10598713 | 0.83 | — | — | |
| SCHEMBL28337072 | 0.83 | — | — | |
| SCHEMBL28264945 | 0.83 | — | — |
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-109790071-A | Gypsum additives for mercury control | 艺康美国股份有限公司 | 2019-05-21 | — | — | CN | disclosed |