⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL805958 | 0.76 | — | — | |
| SCHEMBL10528992 | 0.76 | — | — | |
| SCHEMBL31536953 | 0.76 | — | — | |
| SCHEMBL3997952 | 0.76 | — | — | |
| SCHEMBL6594899 | 0.73 | LMNA (0.45) | — | |
| SCHEMBL3528166 | 0.71 | — | — | |
| Zinc Ion SCHEMBL14892349 | 0.67 | LMNA (0.48) | — | |
| SCHEMBL823295 | 0.67 | — | — | |
| SCHEMBL4067666 | 0.67 | HDAC8 (0.88) | — | |
| SCHEMBL871319 | 0.66 | LMNA (0.52) | — |
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-115867525-A | Improvements in and relating to nitrification inhibitors | 林肯大学 | 2023-03-28 | — | — | CN | disclosed |