⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28386153 | 0.87 | — | — | |
| SCHEMBL28269573 | 0.87 | — | — | |
| SCHEMBL9657420 | 0.82 | — | — | |
| SCHEMBL628355 | 0.82 | — | — | |
| SCHEMBL180198 | 0.82 | — | — | |
| SCHEMBL28173567 | 0.82 | — | — | |
| SCHEMBL28153589 | 0.82 | — | — | |
| SCHEMBL1780835 | 0.82 | — | — | |
| SCHEMBL20995921 | 0.67 | — | — | |
| SCHEMBL21633913 | 0.67 | — | — |
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-111054376-B | Non-noble metal catalyst for catalytic combustion of PTA (pure terephthalic acid) oxidized tail gas and application thereof | 中国石油化工股份有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-111054376-A | Non-noble metal catalyst for catalytic combustion of PTA oxidized tail gas and application thereof | 中国石油化工股份有限公司 | 2020-04-24 | — | — | CN | disclosed |