⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28166949 | 0.82 | — | — | |
| SCHEMBL378668 | 0.82 | — | — | |
| SCHEMBL168218 | 0.67 | — | — | |
| SCHEMBL28664948 | 0.67 | — | — | |
| SCHEMBL28407483 | 0.67 | — | — | |
| SCHEMBL28658501 | 0.67 | — | — | |
| SCHEMBL247606 | 0.58 | — | — | |
| SCHEMBL273 | 0.58 | — | — | |
| SCHEMBL8434283 | 0.58 | — | — | |
| SCHEMBL278067 | 0.58 | — | — |
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-112724114-A | Epicatechin and related polyphenols | 斯法尔制药私人有限公司 | 2021-04-30 | — | — | CN | disclosed |