⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28173567 | 0.82 | — | — | |
| SCHEMBL28153589 | 0.82 | — | — | |
| SCHEMBL9657420 | 0.82 | — | — | |
| SCHEMBL180198 | 0.82 | — | — | |
| SCHEMBL11820557 | 0.82 | — | — | |
| Water SCHEMBL22127455 | 0.67 | — | — | |
| SCHEMBL22230448 | 0.67 | — | — | |
| SCHEMBL5063470 | 0.67 | — | — | |
| SCHEMBL22261429 | 0.67 | — | — | |
| SCHEMBL21715241 | 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 1 patent. 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 |