⚠ 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 | |
|---|---|---|---|---|
| Carbon Tetrachloride SCHEMBL3648805 | 0.82 | — | — | |
| Ethane SCHEMBL27847150 | 0.82 | — | — | |
| Carbon Tetrachloride SCHEMBL8874630 | 0.82 | TSHR (1.00) | — | |
| Carbon Tetrachloride SCHEMBL100 | 0.82 | — | — | |
| Carbon Tetrachloride SCHEMBL6048500 | 0.77 | — | — | |
| Carbon Tetrachloride SCHEMBL4518046 | 0.77 | — | — | |
| Trichloroethane SCHEMBL9127796 | 0.77 | — | — | |
| Carbon Tetrachloride SCHEMBL9545477 | 0.77 | — | — | |
| Hexachloroethane SCHEMBL11301187 | 0.77 | TSHR (0.44) | — | |
| Trichloroethane SCHEMBL4603454 | 0.77 | TSHR (0.86) | — |
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-103651412-B | Induced pest resistance of diazosulfide derivative and application thereof | 中国农业科学院蔬菜花卉研究所 | 2017-02-01 | — | — | CN | disclosed |
| CN-102532058-B | Benzo [1,2,3] thiadiazoles-7-carboxylic ester derivative is as the application of Plant activator | 华东理工大学 | 2016-11-09 | — | — | CN | disclosed |
| CN-102532059-B | Benzo [1,2,3] thiadiazoles fluorine-containing derivant is as the application of Plant activator | 华东理工大学 | 2016-11-02 | — | — | CN | disclosed |
| CN-103980129-B | Acetylenylbenzene amidine compound or its salt, its preparation method and for agricultural and the antibacterial of gardening | 日本欧爱特农业科技株式会社 | 2016-08-31 | — | — | CN | disclosed |