⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24519717 | 0.83 | — | — | |
| SCHEMBL20344793 | 0.83 | BRD4 (0.32) | — | |
| SCHEMBL20344734 | 0.81 | ATAD2 (0.38) | — | |
| SCHEMBL22756470 | 0.79 | HDAC1 (0.36) | — | |
| SCHEMBL24519736 | 0.78 | — | — | |
| SCHEMBL24519735 | 0.77 | BRD4 (0.31) | — | |
| SCHEMBL20344769 | 0.71 | ATAD2 (0.36) | — | |
| SCHEMBL20335475 | 0.69 | CYP19A1 (0.50) | — | |
| SCHEMBL20335486 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL20616508 | 0.66 | BRD4 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3342766-B1 | SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE | CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) | 2020-12-09 | — | — | EP | disclosed |
| EP-3342766-A1 | SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE | Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) | 2018-07-04 | — | — | EP | disclosed |