⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6360096 | 0.72 | — | — | |
| SCHEMBL13154145 | 0.70 | — | — | |
| SCHEMBL18023032 | 0.70 | — | — | |
| SCHEMBL27413975 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6360099 | 0.67 | — | — | |
| SCHEMBL16728385 | 0.64 | — | — | |
| SCHEMBL5805195 | 0.63 | — | — | |
| SCHEMBL29201875 | 0.63 | — | — | |
| SCHEMBL14364128 | 0.63 | — | — | |
| SCHEMBL16338695 | 0.61 | — | — |
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 |