⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28632525 | 0.65 | POLB (0.31) | — | |
| SCHEMBL28628334 | 0.63 | POLB (0.32) | — | |
| SCHEMBL22472087 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL28630520 | 0.59 | KDM4E (0.31) | — | |
| SCHEMBL28626091 | 0.57 | KDM4E (0.33) | — | |
| SCHEMBL11412780 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL10535977 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL3344226 | 0.56 | POLB (0.63) | — | |
| SCHEMBL6227586 | 0.53 | TSHR (0.35) | — | |
| SCHEMBL10535970 | 0.52 | ALDH1A1 (0.40) | — |
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-113423694-A | Cinnolinium compounds for use in a method for controlling unwanted plant growth | 先正达农作物保护股份公司 | 2021-09-21 | — | — | CN | disclosed |