⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9583242 | 1.00 | — | — | |
| SCHEMBL13381684 | 1.00 | — | — | |
| SCHEMBL30360356 | 1.00 | — | — | |
| SCHEMBL8607882 | 1.00 | — | — | |
| SCHEMBL9583252 | 1.00 | — | — | |
| SCHEMBL626096 | 1.00 | — | — | |
| SCHEMBL692812 | 0.92 | CYSLTR2 (0.57) | — | |
| SCHEMBL4300160 | 0.92 | CYSLTR2 (0.57) | — | |
| SCHEMBL692811 | 0.92 | CYSLTR2 (0.57) | — | |
| SCHEMBL3356855 | 0.92 | CYSLTR2 (0.57) | — |
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-113121428-B | Preparation method of montelukast sodium derivative | 梯尔希（南京）药物研发有限公司 | 2023-03-28 | — | — | CN | disclosed |