⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4747874 | 1.00 | — | — | |
| SCHEMBL4747805 | 0.75 | — | — | |
| SCHEMBL4747768 | 0.69 | — | — | |
| SCHEMBL18583338 | 0.66 | — | — | |
| SCHEMBL26298525 | 0.66 | — | — | |
| SCHEMBL23436009 | 0.66 | — | — | |
| SCHEMBL26701187 | 0.66 | — | — | |
| SCHEMBL4747793 | 0.64 | SLC6A2 (0.30) | — | |
| SCHEMBL12457868 | 0.63 | — | — | |
| SCHEMBL90576 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140142096-A1 | Fused Substituted Aminopyrrolidine Derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-05-22 | — | — | US | disclosed |
| US-20130029977-A9 | Fused substituted aminopyrrolidine derivative | DAIICHI SANKYO COMPANY, LIMITED | 2013-01-31 | — | — | US | disclosed |
| US-20120108582-A1 | Fused substituted aminopyrrolidine derivative | DAIICHI SANKYO COMPANY, LIMITED | 2012-05-03 | — | — | US | disclosed |