⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1031928 | 1.00 | — | — | |
| SCHEMBL14621071 | 1.00 | — | — | |
| SCHEMBL1615494 | 0.97 | GLB1 (0.55) | — | |
| SCHEMBL1463931 | 0.92 | — | — | |
| SCHEMBL294012 | 0.90 | GLB1 (0.50) | — | |
| SCHEMBL3411264 | 0.89 | GBA1 (0.48) | — | |
| SCHEMBL9070503 | 0.89 | GBA1 (0.48) | — | |
| SCHEMBL2233321 | 0.89 | — | — | |
| SCHEMBL11870431 | 0.89 | GBA1 (0.48) | — | |
| SCHEMBL19837679 | 0.89 | GBA1 (0.48) | — |
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-20030153771-A1 | Large scale synthesis of optically pure aziridines | LEXICON PHARMACEUTICALS, INC. | 2003-08-14 | — | — | US | disclosed |