⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28100329 | 0.89 | — | — | |
| Methylamine SCHEMBL1331361 | 0.87 | — | — | |
| Methylamine SCHEMBL632 | 0.87 | — | — | |
| Methylamine SCHEMBL31337913 | 0.87 | — | — | |
| Methylamine SCHEMBL1331336 | 0.87 | — | — | |
| Methylamine SCHEMBL6988408 | 0.87 | — | — | |
| Methylamine SCHEMBL1330940 | 0.87 | — | — | |
| Methylamine SCHEMBL22689443 | 0.75 | — | — | |
| Methylamine SCHEMBL8931568 | 0.75 | — | — | |
| Methylamine SCHEMBL22772231 | 0.75 | — | — |
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-20230172820-A1 | Compositions Containing Microcapsules | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2023-06-08 | — | — | US | disclosed |