⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873697 | 1.00 | — | — | |
| SCHEMBL15447570 | 1.00 | — | — | |
| SCHEMBL15447562 | 1.00 | — | — | |
| SCHEMBL16449146 | 1.00 | — | — | |
| SCHEMBL317016 | 1.00 | — | — | |
| SCHEMBL317017 | 1.00 | — | — | |
| SCHEMBL6649754 | 0.84 | TP53 (0.47) | — | |
| SCHEMBL18168769 | 0.84 | TP53 (0.47) | — | |
| SCHEMBL6649752 | 0.84 | TP53 (0.47) | — | |
| SCHEMBL12427680 | 0.84 | TP53 (0.47) | — |
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-110483289-A | A kind of method of asymmetric syntheses chirality olefin(e) acid ester | UNIV CHINA AGRICULTURAL | 2019-11-22 | — | — | CN | disclosed |