⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10473160 | 0.77 | — | — | |
| SCHEMBL9720653 | 0.77 | — | — | |
| SCHEMBL15930121 | 0.77 | — | — | |
| Chloromethane SCHEMBL2534933 | 0.76 | TDP1 (0.34) | — | |
| Chloromethane SCHEMBL10332764 | 0.76 | TDP1 (0.34) | — | |
| SCHEMBL272875 | 0.74 | — | — | |
| SCHEMBL214693 | 0.74 | — | — | |
| SCHEMBL471929 | 0.72 | — | — | |
| SCHEMBL471928 | 0.72 | — | — | |
| SCHEMBL16155525 | 0.72 | — | — |
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-103965464-B | A kind of preparation method and its usage of acrylonitrile copolymer solid-solid phase transition material second comonomer | 天津工业大学 | 2016-09-07 | — | — | CN | claimed |
| CN-114616232-A | Azepadinopyrimidine derivatives and medical application thereof | 正大天晴药业集团南京顺欣制药有限公司 | 2022-06-10 | — | — | CN | disclosed |