⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7845987 | 0.53 | — | — | |
| SCHEMBL14973454 | 0.51 | KDM1A (0.50) | — | |
| SCHEMBL1005162 | 0.50 | — | — | |
| SCHEMBL1606813 | 0.50 | — | — | |
| SCHEMBL1051743 | 0.49 | MAPT (0.35) | — | |
| SCHEMBL163531 | 0.48 | — | — | |
| SCHEMBL4136281 | 0.47 | — | — | |
| SCHEMBL71691 | 0.46 | — | — | |
| SCHEMBL2884020 | 0.46 | ESR2 (0.57) | — | |
| SCHEMBL2361666 | 0.46 | — | — |
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-102099362-A | Selenophene and selenazole carboxylic acid derivatives | IRONWOOD PHARMACEUTICALS INC | 2011-06-15 | — | — | CN | claimed |
| EP-2297167-A1 | SELENOPHENE AND SELENAZOLE CARBOXYLIC ACID DERIVATIVES | Ironwood Pharmaceuticals, Inc. (US) | 2011-03-23 | — | — | EP | claimed |
| WO-2009148564-A1 | SELENOPHENE AND SELENAZOLE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2009-12-10 | — | — | WO | claimed |