⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28772912 | 0.95 | MEN1 (0.55) | — | |
| SCHEMBL3190119 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL6245952 | 0.78 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL28234697 | 0.77 | TSHR (0.62) | — | |
| SCHEMBL1591713 | 0.74 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL28772914 | 0.74 | TSHR (0.59) | — | |
| SCHEMBL25431022 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL15348480 | 0.74 | — | — | |
| SCHEMBL9194145 | 0.72 | — | — | |
| SCHEMBL2490961 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117199347-A | W doping induced multi-electron reaction magnesium ion battery anode material W 0.05 V 0.95 S 4 | 青岛科技大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-109935804-A | A kind of long-life vulcanization tin negative pole material and preparation method thereof | 上海大学(浙江·嘉兴)新兴产业研究院 | 2019-06-25 | — | — | CN | disclosed |
| CN-108190954-A | A kind of preparation method and applications of eight vulcanization, five vanadium powder bodies | 东华大学 | 2018-06-22 | — | — | CN | disclosed |
| CN-107895786-A | Flexible self-supporting SnS/ carbon foam composites and its preparation method and application | 晋中学院 | 2018-04-10 | — | — | CN | disclosed |