⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7329448 | 0.68 | — | — | |
| SCHEMBL11194430 | 0.67 | — | — | |
| SCHEMBL3861080 | 0.64 | HTT (0.33) | — | |
| SCHEMBL11194425 | 0.62 | — | — | |
| SCHEMBL11198813 | 0.61 | — | — | |
| SCHEMBL11004932 | 0.61 | — | — | |
| SCHEMBL3155911 | 0.60 | — | — | |
| SCHEMBL14834279 | 0.59 | — | — | |
| SCHEMBL11376137 | 0.59 | — | — | |
| SCHEMBL16054584 | 0.59 | — | — |
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-4370323-A | 2-Cyanoaziridinyl-(1)-2-substituted-aziridinyl-(1)-methanes | BOEHRINGER MANNHEIM GMBH (DE) | 1983-01-25 | — | — | US | disclosed |