⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104076 | 0.95 | — | — | |
| Dimethylamine SCHEMBL28330971 | 0.63 | — | — | |
| Methylethylamine SCHEMBL19358922 | 0.63 | — | — | |
| Dimethylamine SCHEMBL27842114 | 0.60 | — | — | |
| SCHEMBL1130901 | 0.60 | — | — | |
| SCHEMBL592710 | 0.60 | — | — | |
| SCHEMBL8973364 | 0.60 | — | — | |
| Dimethylamine SCHEMBL28579521 | 0.57 | — | — | |
| Dimethylamine SCHEMBL11133653 | 0.57 | — | — | |
| Methylethylamine SCHEMBL14666 | 0.56 | — | — |
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-106636630-A | Ionic rare-earth ore infiltration system reinforced leaching method | 江西理工大学 | 2017-05-10 | — | — | CN | disclosed |