⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9754658 | 0.69 | — | — | |
| SCHEMBL3430483 | 0.62 | — | — | |
| SCHEMBL3478899 | 0.61 | — | — | |
| SCHEMBL10385314 | 0.58 | — | — | |
| SCHEMBL19452174 | 0.58 | — | — | |
| SCHEMBL12928471 | 0.56 | — | — | |
| SCHEMBL14629088 | 0.56 | — | — | |
| SCHEMBL1709031 | 0.56 | — | — | |
| SCHEMBL12928668 | 0.56 | — | — | |
| SCHEMBL12225583 | 0.56 | — | — |
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-6514970-B1 | Pyrrolidines such as benzo(b)thiophene-2-carboxylic acid ((S)-1-((S)-1-(4-(1-benzyl-piperidin-4-yloxy)-3-chloro-benzyl)-pyrrolidin-3 -ylcarbamoyl)-3- methyl-butyl)-amide | SMITHKLINE BEECHAM CORPORATION | 2003-02-04 | — | — | US | disclosed |