⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43352 | 0.97 | — | — | |
| Water SCHEMBL8015768 | 0.97 | — | — | |
| SCHEMBL27647553 | 0.94 | — | — | |
| SCHEMBL8672502 | 0.94 | — | — | |
| Zinc Chloride SCHEMBL29025482 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL28328512 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL27917432 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL1135190 | 0.77 | — | — | |
| SCHEMBL27592615 | 0.76 | — | — | |
| SCHEMBL27654068 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101394847-B | Cycloalkylamines as monoamine reuptake inhibitors | 塞普拉柯公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-103261176-B | 1, 4-oxazepane derivatives | TAKEDA PHARMACEUTICAL | 2015-06-03 | — | — | CN | disclosed |
| CN-1914173-A | Quinolines useful in treating cardiovascular disease | WYETH CORP (US) | 2007-02-14 | — | — | CN | disclosed |