⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179255 | 0.96 | — | — | |
| SCHEMBL4563756 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL28325947 | 0.93 | — | — | |
| SCHEMBL28121962 | 0.93 | — | — | |
| Benzene SCHEMBL11786892 | 0.90 | — | — | |
| Thiophene SCHEMBL28159593 | 0.78 | — | — | |
| SCHEMBL2561084 | 0.73 | — | — | |
| SCHEMBL27827940 | 0.71 | — | — | |
| SCHEMBL29069133 | 0.64 | — | — | |
| SCHEMBL19413609 | 0.63 | — | — |
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-20120149743-A9 | Selenophene and Selenazole Carboxylic Acid Derivatives | IRONWOOD PHARMACEUTICALS, INC (US) | 2012-06-14 | — | — | US | disclosed |