⚠ 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 | |
|---|---|---|---|---|
| N-Nitrosomorpholine SCHEMBL27520827 | 1.00 | CA12 (0.39) | — | |
| N-Nitrosomorpholine SCHEMBL1578515 | 1.00 | — | — | |
| SCHEMBL18650425 | 0.77 | SMN1; SMN2 (0.44) | — | |
| N,N'-Dinitrosopiperazine SCHEMBL2353649 | 0.75 | — | — | |
| SCHEMBL3262072 | 0.75 | — | — | |
| SCHEMBL606668 | 0.69 | — | — | |
| SCHEMBL11507080 | 0.69 | — | — | |
| SCHEMBL54988 | 0.69 | — | — | |
| SCHEMBL30710221 | 0.69 | — | — | |
| SCHEMBL9526148 | 0.69 | — | — |
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-20230242495-A1 | Nitrosation Reagents and Methods | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |