⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL28003142 | 0.77 | — | — | |
| Ethane SCHEMBL27807574 | 0.77 | — | — | |
| SCHEMBL27549389 | 0.76 | — | — | |
| SCHEMBL31252729 | 0.76 | — | — | |
| SCHEMBL1288 | 0.76 | — | — | |
| Methylamine SCHEMBL11408480 | 0.71 | — | — | |
| SCHEMBL31391248 | 0.71 | — | — | |
| SCHEMBL2132857 | 0.68 | — | — | |
| Phosphine SCHEMBL8944186 | 0.68 | — | — | |
| Phosphine SCHEMBL1943939 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105642315-B | A kind of industrial production process of solid acid catalyst and its application | 龙建新 | 2018-01-05 | — | — | CN | claimed |
| CN-112958082-A | Catalyst for desulfurizing aromatic hydrocarbon and preparation method thereof | 河南神马催化科技股份有限公司 | 2021-06-15 | — | — | CN | disclosed |
| CN-107739376-B | A kind of preparation method of pa Berkeley | 山东裕欣药业有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-105107491-B | A kind of manufacturing method of HF hydrocarbon hydrogenation catalyst and application | 巨化集团技术中心 | 2018-11-02 | — | — | CN | disclosed |
| CN-107739376-A | A kind of preparation method of pa Berkeley | 山东裕欣药业有限公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-103384665-B | The method for preparing gyrase and topoisomerase enzyme inhibitor | 斯派罗吹耐姆公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-105642315-B | A kind of industrial production process of solid acid catalyst and its application | 龙建新 | 2018-01-05 | — | — | CN | disclosed |
| CN-105107491-A | Preparation method and application for hydrofluoroolefins hydrogenation catalyst | JUHUA GROUP TECHNOLOGY CT | 2015-12-02 | — | — | CN | disclosed |