⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2612037 | 0.72 | — | — | |
| SCHEMBL14501291 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL123127 | 0.65 | ALDH1A1 (0.47) | — | |
| SCHEMBL9336430 | 0.65 | ALDH1A1 (0.47) | — | |
| SCHEMBL28863276 | 0.65 | CYP1A2 (0.30) | — | |
| SCHEMBL28816947 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL12245659 | 0.65 | TSHR (0.45) | — | |
| SCHEMBL19634246 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL2880175 | 0.65 | MAPT (0.33) | — | |
| Iodide SCHEMBL2127044 | 0.63 | ALDH1A1 (0.45) | — |
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-20090286980-A1 | OPTICALLY ACTIVE 3-AMINO-2,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, PROCESS FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-11-19 | — | — | US | disclosed |