⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL582191 | 0.79 | — | — | |
| SCHEMBL29191643 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL2935124 | 0.71 | TSHR (0.47) | — | |
| Hypochlorous Acid SCHEMBL11409776 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL23945513 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1093910 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL20192576 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL7739967 | 0.65 | LAP3 (0.37) | — | |
| SCHEMBL18469125 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL21925361 | 0.65 | ALDH1A1 (0.35) | — |
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-119685394-A | Application of transcription factor OsEPR1 as negative regulation factor in improving content of volatile metabolites in rice | 海南大学三亚南繁研究院 | 2025-03-25 | — | — | CN | disclosed |