⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423064 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL14760321 | 0.96 | ALDH1A1 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL451202 | 0.96 | — | — | |
| Water SCHEMBL27749247 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL18603271 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL37752 | 0.91 | — | — | |
| SCHEMBL27553773 | 0.91 | ALDH1A1 (0.54) | — | |
| SCHEMBL6352035 | 0.87 | — | — | |
| Rubidium SCHEMBL7045613 | 0.87 | — | — | |
| Bicarbonate SCHEMBL7192999 | 0.87 | — | — |
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-114790285-A | Induction system and inducer for continuous polymerization of epoxide and method for continuous polymerization of epoxide | 万华化学集团股份有限公司 | 2022-07-26 | — | — | CN | disclosed |