⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423328 | 0.86 | — | — | |
| Iodide SCHEMBL3442977 | 0.84 | — | — | |
| SCHEMBL840223 | 0.78 | — | — | |
| SCHEMBL29022867 | 0.70 | — | — | |
| SCHEMBL10212472 | 0.70 | — | — | |
| SCHEMBL19372707 | 0.70 | — | — | |
| SCHEMBL22337944 | 0.70 | — | — | |
| SCHEMBL349752 | 0.70 | — | — | |
| SCHEMBL425888 | 0.70 | — | — | |
| Bromide SCHEMBL31514056 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8153793-B2 | Sulfonamide derivative having PGD2 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |