⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6471512 | 0.83 | — | — | |
| SCHEMBL28213093 | 0.81 | — | — | |
| Water SCHEMBL6939646 | 0.80 | — | — | |
| SCHEMBL232566 | 0.77 | — | — | |
| SCHEMBL21468437 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL8122983 | 0.75 | — | — | |
| SCHEMBL617774 | 0.73 | — | — | |
| SCHEMBL3430010 | 0.73 | — | — | |
| SCHEMBL2497209 | 0.73 | — | — | |
| SCHEMBL1149434 | 0.69 | — | — |
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-109721511-A | A kind of preparation method of the Shuangzi amine oxide of the ethyl of ester group containing alkyl | 北京工商大学 | 2019-05-07 | — | — | CN | claimed |
| CN-109721511-A | A kind of preparation method of the Shuangzi amine oxide of the ethyl of ester group containing alkyl | 北京工商大学 | 2019-05-07 | — | — | CN | disclosed |