⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7336493 | 0.87 | — | — | |
| SCHEMBL9918128 | 0.79 | — | — | |
| SCHEMBL7345700 | 0.76 | — | — | |
| SCHEMBL9947429 | 0.71 | — | — | |
| SCHEMBL7345418 | 0.68 | — | — | |
| SCHEMBL7339071 | 0.66 | CYP2D6 (0.43) | — | |
| SCHEMBL9918126 | 0.66 | — | — | |
| SCHEMBL7347450 | 0.64 | GSK3A (0.32) | — | |
| SCHEMBL21204303 | 0.64 | — | — | |
| SCHEMBL28074435 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4358599-A | Synthesis of 4-amino-1,2-hydrocarbyl pyrazolidines via 4-nitro analogs | A. H. ROBINS COMPANY, INC. (US) | 1982-11-09 | — | — | US | disclosed |
| US-4309552-A | Synthesis of 4-nitro-1,2-hydrocarbyl pyrazolidines and process for preparation thereof | A. H. ROBINS COMPANY, INC. (US) | 1982-01-05 | — | — | US | disclosed |