⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12794026 | 0.74 | — | — | |
| SCHEMBL31282565 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL7269638 | 0.67 | TLR7 (0.33) | — | |
| SCHEMBL752954 | 0.67 | — | — | |
| SCHEMBL15308486 | 0.66 | HTR1A (0.35) | — | |
| SCHEMBL12087469 | 0.65 | HTR1A (0.37) | — | |
| SCHEMBL4837660 | 0.62 | — | — | |
| SCHEMBL9332575 | 0.62 | — | — | |
| SCHEMBL18010981 | 0.62 | — | — | |
| SCHEMBL14893097 | 0.60 | — | — |
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-113329629-A | Herbicidal compounds | 先正达农作物保护股份公司 | 2021-08-31 | — | — | CN | disclosed |