⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28034122 | 0.89 | — | — | |
| SCHEMBL31484461 | 0.89 | — | — | |
| SCHEMBL27743199 | 0.87 | — | — | |
| SCHEMBL308450 | 0.87 | — | — | |
| SCHEMBL31148862 | 0.87 | — | — | |
| SCHEMBL6544439 | 0.87 | — | — | |
| SCHEMBL28034114 | 0.82 | — | — | |
| SCHEMBL29213764 | 0.75 | — | — | |
| SCHEMBL29362471 | 0.75 | — | — | |
| SCHEMBL29287172 | 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-105214679-B | A kind of water resistant sulfur resistive type denitrating flue gas powder catalyst, preparation method and its usage | 中国石油大学(北京) | 2018-08-21 | — | — | CN | disclosed |
| CN-105214679-A | A kind of water resistant sulfur resistive type denitrating flue gas powder catalyst, preparation method and its usage | UNIV CHINA PETROLEUM | 2016-01-06 | — | — | CN | disclosed |