⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27717815 | 0.83 | TBXAS1 (0.41) | — | |
| Water SCHEMBL28065020 | 0.82 | TBXAS1 (0.41) | — | |
| SCHEMBL28008647 | 0.82 | TBXAS1 (0.45) | — | |
| SCHEMBL27870471 | 0.82 | TBXAS1 (0.45) | — | |
| SCHEMBL27683218 | 0.82 | TBXAS1 (0.45) | — | |
| SCHEMBL27804623 | 0.82 | TBXAS1 (0.45) | — | |
| SCHEMBL27683158 | 0.82 | TBXAS1 (0.45) | — | |
| SCHEMBL27870469 | 0.82 | TBXAS1 (0.45) | — | |
| SCHEMBL27761649 | 0.81 | TBXAS1 (0.38) | — | |
| Water SCHEMBL28065156 | 0.80 | TBXAS1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105153180-A | Method for extracting cinnamomum longepaniculatum essential oil and simultaneously preparing ellagic acid through hydrolyzing tannin | UNIV NORTHEAST FORESTRY | 2015-12-16 | — | — | CN | claimed |
| CN-105062687-A | Method for extracting eucalyptus oil and hydrolyzing tannin to prepare ellagic acid at the same time | UNIV NORTHEAST FORESTRY | 2015-11-18 | — | — | CN | claimed |
| CN-105153180-A | Method for extracting cinnamomum longepaniculatum essential oil and simultaneously preparing ellagic acid through hydrolyzing tannin | UNIV NORTHEAST FORESTRY | 2015-12-16 | — | — | CN | disclosed |
| CN-105062687-A | Method for extracting eucalyptus oil and hydrolyzing tannin to prepare ellagic acid at the same time | UNIV NORTHEAST FORESTRY | 2015-11-18 | — | — | CN | disclosed |