⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28098640 | 0.93 | CA2 (0.45) | — | |
| SCHEMBL254414 | 0.92 | GPR84 (0.46) | — | |
| SCHEMBL11466265 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11466630 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11458688 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11467060 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11465495 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11459203 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11474694 | 0.90 | GPR84 (0.50) | — | |
| SCHEMBL11467097 | 0.90 | GPR84 (0.50) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108434073-A | A kind of denture cleanser and preparation method thereof | 常州市阿曼特医药科技有限公司 | 2018-08-24 | — | — | CN | claimed |
| CN-105582850-B | A kind of linear hyperbranched phosphate ester salt surfactant and preparation method thereof | 陕西科技大学 | 2017-08-29 | — | — | CN | claimed |
| CN-103450243-B | (methyl) acrylate monomer of oligomerization cubical contraction without structure of bisphenol A and its preparation method and application | 华南理工大学 | 2016-10-05 | — | — | CN | claimed |
| CN-105582850-A | Linear-hyperbranched phosphate salt surface active agent and preparation method thereof | UNIV SHAANXI SCIENCE & TECH | 2016-05-18 | — | — | CN | claimed |
| CN-109535033-A | A kind of synthetic method of fluorine bacterium azoles metabolin FM-6-1 | 天津阿尔塔科技有限公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-108434073-A | A kind of denture cleanser and preparation method thereof | 常州市阿曼特医药科技有限公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-107721238-A | vegetable protein foaming agent and preparation method thereof | 广东盛瑞科技股份有限公司 | 2018-02-23 | — | — | CN | disclosed |
| CN-105582850-B | A kind of linear hyperbranched phosphate ester salt surfactant and preparation method thereof | 陕西科技大学 | 2017-08-29 | — | — | CN | disclosed |
| CN-104086778-B | The preparation method of amphipathic comb-type polymer phase change energy storage | 天津工业大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-105582850-A | Linear-hyperbranched phosphate salt surface active agent and preparation method thereof | UNIV SHAANXI SCIENCE & TECH | 2016-05-18 | — | — | CN | disclosed |
| US-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |