⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964898 | 0.77 | — | — | |
| SCHEMBL7104317 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL21482253 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL386774 | 0.71 | — | — | |
| SCHEMBL28840430 | 0.71 | — | — | |
| SCHEMBL2954654 | 0.71 | — | — | |
| SCHEMBL11246698 | 0.70 | FOLH1 (0.33) | — | |
| SCHEMBL24809674 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL3741724 | 0.67 | — | — | |
| SCHEMBL22003302 | 0.67 | — | — |
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-115052856-A | 3-alkoxybenzamide derivative and pest control agent | 组合化学工业株式会社 | 2022-09-13 | — | — | CN | disclosed |