⚠ 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 | |
|---|---|---|---|---|
| Nitrous Oxide SCHEMBL18984005 | 1.00 | — | — | |
| Nitrous Oxide SCHEMBL1332593 | 1.00 | — | — | |
| Nitrous Oxide SCHEMBL2160900 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL2299393 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL8577875 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL25305708 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL600798 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL341935 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL5880692 | 0.93 | — | — | |
| Nitrous Oxide SCHEMBL22832173 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116087467-A | Open-air normal position 15 N isotope pairing injection marking method | 南宁师范大学 | 2023-05-09 | — | — | CN | disclosed |