⚠ 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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL2044 | 0.96 | — | — | |
| Chlorobenzene SCHEMBL1568605 | 0.96 | TSHR (1.00) | — | |
| Chlorobenzene SCHEMBL2168046 | 0.96 | TSHR (1.00) | — | |
| Chlorobenzene SCHEMBL9721018 | 0.96 | TSHR (1.00) | — | |
| Chlorobenzene SCHEMBL11220629 | 0.96 | TSHR (1.00) | — | |
| SCHEMBL24715429 | 0.96 | TSHR (1.00) | — | |
| Chlorobenzene SCHEMBL1330702 | 0.96 | — | — | |
| Chlorobenzene SCHEMBL1331798 | 0.96 | — | — | |
| Chlorobenzene SCHEMBL1339852 | 0.96 | — | — | |
| Chlorobenzene SCHEMBL1330516 | 0.96 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023210569-A1 | NOVEL COMPOUND, CONJUGATED POLYMER AND METHOD FOR PRODUCING SAME, FILM FORMATION COMPOSITION, ORGANIC THIN FILM, AND ORGANIC SEMICONDUCTOR ELEMENT | 東ソー株式会社 | 2023-11-02 | — | — | WO | disclosed |
| CN-106170339-A | Electrolyzer and thin film | 二氧化碳材料公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-104884457-A | Pyrazolopyrimidone or pyrrolotriazone derivatives, method of preparing same, and pharmaceutical applications thereof | SHANGHAI HENGRUI PHARM CO LTD | 2015-09-02 | — | — | CN | disclosed |