⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4520004 | 0.50 | — | — | |
| SCHEMBL9901675 | 0.50 | — | — | |
| Xenon Xe 127 SCHEMBL29617513 | 0.50 | — | — | |
| SCHEMBL31356962 | 0.50 | — | — | |
| Ethylene SCHEMBL38297 | 0.35 | — | — | |
| Ethylene SCHEMBL1770 | 0.35 | — | — | |
| Ethylene SCHEMBL8323678 | 0.35 | — | — | |
| Ethylene SCHEMBL1332643 | 0.35 | — | — | |
| Ethylene SCHEMBL9863791 | 0.35 | — | — | |
| Ethylene SCHEMBL675055 | 0.35 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107880079-B | Cyclic N-heterocyclic bis-carbene-palladium complex and preparation method and application thereof | 天津师范大学 | 2020-05-08 | — | — | CN | claimed |
| US-8703992-B2 | Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides | BASF SE (DE) | 2014-04-22 | — | — | US | claimed |
| US-20110172456-A1 | Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides | BASF SE (DE) | 2011-07-14 | — | — | US | claimed |
| CN-113117754-B | Flower-shaped core-shell type magnetic mesoporous microsphere immobilized N-heterocyclic carbene cyclic palladium catalyst and preparation method and application thereof | 上海理工大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-113816999-B | Caffeine-derived azacyclo-carbene-palladium complex and synthesis method and catalytic application thereof | 常州大学 | 2022-08-26 | — | — | CN | disclosed |
| CN-113816999-A | Caffeine-derived azacyclo-carbene-palladium complex and synthesis method and catalytic application thereof | 常州大学 | 2021-12-21 | — | — | CN | disclosed |
| CN-107880079-B | Cyclic N-heterocyclic bis-carbene-palladium complex and preparation method and application thereof | 天津师范大学 | 2020-05-08 | — | — | CN | disclosed |
| CN-107880079-B | Cyclic N-heterocyclic bis-carbene-palladium complex and preparation method and application thereof | 天津师范大学 | 2020-05-08 | — | — | CN | disclosed |
| US-8703992-B2 | Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides | BASF SE (DE) | 2014-04-22 | — | — | US | disclosed |
| US-20110172456-A1 | Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides | BASF SE (DE) | 2011-07-14 | — | — | US | disclosed |