⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80522 | 0.82 | — | — | |
| SCHEMBL2530367 | 0.82 | — | — | |
| SCHEMBL1004887 | 0.82 | — | — | |
| SCHEMBL10420331 | 0.67 | — | — | |
| SCHEMBL7258940 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11803059 | 0.67 | — | — | |
| SCHEMBL14716827 | 0.67 | — | — | |
| SCHEMBL2314711 | 0.67 | — | — | |
| SCHEMBL21987931 | 0.67 | — | — | |
| SCHEMBL3402787 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116217348-B | Preparation method of 1, 2-di-n-propoxybenzene | 万华化学集团股份有限公司 | 2024-05-03 | — | — | CN | claimed |
| CN-116217348-A | Preparation method of 1, 2-di-n-propoxybenzene | 万华化学集团股份有限公司 | 2023-06-06 | — | — | CN | claimed |
| CN-116217348-B | Preparation method of 1, 2-di-n-propoxybenzene | 万华化学集团股份有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-115672394-B | Preparation method of Cs/Eu-AFN molecular sieve catalyst and preparation method of 1, 2-di-n-propoxybenzene | 万华化学集团股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116217348-A | Preparation method of 1, 2-di-n-propoxybenzene | 万华化学集团股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-115672394-A | Preparation method of Cs/Eu-AFN molecular sieve catalyst and preparation method of 1,2-di-n-propoxybenzene | 万华化学集团股份有限公司 | 2023-02-03 | — | — | CN | disclosed |