⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL439058 | 0.98 | — | — | |
| SCHEMBL3890553 | 0.98 | — | — | |
| SCHEMBL3011376 | 0.98 | — | — | |
| SCHEMBL28279170 | 0.96 | — | — | |
| SCHEMBL10433683 | 0.81 | INMT (0.37) | — | |
| SCHEMBL6509714 | 0.71 | INMT (0.61) | — | |
| SCHEMBL12437181 | 0.67 | — | — | |
| SCHEMBL3656314 | 0.67 | — | — | |
| SCHEMBL10969327 | 0.67 | — | — | |
| SCHEMBL3606378 | 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-109311866-B | Process for preparing heterocyclic compounds | 拜耳作物科学股份公司 | 2022-12-09 | — | — | CN | disclosed |