⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14373242 | 1.00 | — | — | |
| SCHEMBL7894960 | 0.81 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL3223494 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL12903862 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL146928 | 0.79 | TSHR (0.53) | — | |
| SCHEMBL6308919 | 0.78 | TSHR (0.57) | — | |
| SCHEMBL20663045 | 0.78 | TRPA1 (0.44) | — | |
| SCHEMBL1304780 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL31457202 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL5645150 | 0.77 | TSHR (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113811532-B | Pesticidally active heterocyclic derivatives with sulfur containing substituents | 先正达农作物保护股份公司 | 2025-04-11 | — | — | CN | disclosed |
| CN-119707924-A | Quaternary ring amide compound and application thereof | 青岛清原化合物有限公司 | 2025-03-28 | — | — | CN | disclosed |
| CN-119638618-A | Quaternary ring amide compound and application thereof | 青岛清原化合物有限公司 | 2025-03-18 | — | — | CN | disclosed |