⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3978891 | 0.83 | FFAR3 (0.31) | — | |
| SCHEMBL82141 | 0.77 | CTSK (0.33) | — | |
| Water SCHEMBL27303949 | 0.74 | TSHR (0.38) | — | |
| Hydrogen Peroxide SCHEMBL27482921 | 0.74 | LMNA (0.38) | — | |
| Acrylonitrile SCHEMBL27634495 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL28051179 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL30658 | 0.72 | — | — | |
| Acrylic Acid SCHEMBL36847 | 0.70 | LMNA (0.48) | — | |
| SCHEMBL28856602 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL28839099 | 0.70 | TSHR (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101189222-B | Tri-, tetra-substituted-3-aminopyrrolidine derivative | DAIICHI SANKYO CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-101189222-A | Tri-, tetra-substituted-3-aminopyrrolidine derivative | DAIICHI SEIYAKU CO (JP) | 2008-05-28 | — | — | CN | disclosed |