⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8255679 | 0.79 | — | — | |
| SCHEMBL91997 | 0.75 | — | — | |
| SCHEMBL31556280 | 0.75 | — | — | |
| SCHEMBL5606681 | 0.72 | — | — | |
| SCHEMBL29351078 | 0.72 | — | — | |
| SCHEMBL20383160 | 0.72 | CYP3A4 (0.56) | — | |
| SCHEMBL28352 | 0.72 | — | — | |
| SCHEMBL14424602 | 0.72 | — | — | |
| SCHEMBL19275481 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL1755265 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014201206-A1 | BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS | AMGEN INC. (US) | 2014-12-18 | — | — | WO | disclosed |
| EP-2581366-A1 | Renin Inhibitors | Vitae Pharmaceuticals, Inc. (US) | 2013-04-17 | — | — | EP | disclosed |
| WO-2008145336-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA LIMITED (GB) | 2008-12-04 | — | — | WO | disclosed |