⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6604794 | 0.83 | — | — | |
| SCHEMBL13495875 | 0.77 | — | — | |
| SCHEMBL5248427 | 0.77 | — | — | |
| SCHEMBL6605325 | 0.74 | — | — | |
| SCHEMBL12199947 | 0.74 | — | — | |
| SCHEMBL7805155 | 0.74 | — | — | |
| SCHEMBL1540962 | 0.74 | — | — | |
| SCHEMBL18227335 | 0.73 | HTR7 (0.46) | — | |
| SCHEMBL8797344 | 0.72 | HTR7 (0.46) | — | |
| SCHEMBL5957210 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113527224-B | Thiazole derivative and application thereof in agriculture | 宁夏苏融达化工有限公司 | 2023-07-04 | — | — | CN | disclosed |
| CN-113527224-A | Thiazole derivative and application thereof in agriculture | 宁夏苏融达化工有限公司 | 2021-10-22 | — | — | CN | disclosed |