⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27912719 | 0.87 | — | — | |
| SCHEMBL21715241 | 0.87 | — | — | |
| SCHEMBL5063470 | 0.87 | — | — | |
| SCHEMBL2145993 | 0.87 | — | — | |
| Methane SCHEMBL28149336 | 0.82 | — | — | |
| SCHEMBL31338443 | 0.82 | — | — | |
| SCHEMBL23878252 | 0.75 | — | — | |
| SCHEMBL6627320 | 0.75 | — | — | |
| SCHEMBL5063598 | 0.75 | — | — | |
| Water SCHEMBL22834919 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111054374-A | Catalytic combustion catalyst for PTA oxidized tail gas and application thereof | 中国石油化工股份有限公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-106698600-A | Microelectrolysis filler for printing and dyeing wastewater treatment and preparation method thereof | 长沙汇聚环境技术有限公司 | 2017-05-24 | — | — | CN | disclosed |