⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24519724 | 0.90 | — | — | |
| SCHEMBL20616638 | 0.81 | BRD4 (0.36) | — | |
| SCHEMBL24519719 | 0.81 | — | — | |
| SCHEMBL20616480 | 0.71 | NR3C2 (0.36) | — | |
| SCHEMBL20616482 | 0.69 | NR3C2 (0.35) | — | |
| SCHEMBL20616510 | 0.69 | NR3C2 (0.35) | — | |
| SCHEMBL20616639 | 0.69 | CYP19A1 (0.37) | — | |
| SCHEMBL20616483 | 0.68 | NR3C2 (0.34) | — | |
| SCHEMBL22756341 | 0.66 | ATAD2 (0.37) | — | |
| Hydrogen Sulfide SCHEMBL24519721 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3398940-B1 | HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF | CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) | 2022-06-22 | — | — | EP | disclosed |