⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26864949 | 1.00 | — | — | |
| Dimethyl Fumarate SCHEMBL9536978 | 0.90 | NFE2L2 (0.72) | — | |
| Dimethyl Fumarate SCHEMBL41836 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL41835 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Maleate SCHEMBL27720952 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Maleate SCHEMBL75864 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL28128958 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL11668350 | 0.81 | NFE2L2 (1.00) | — | |
| SCHEMBL14771182 | 0.79 | — | — | |
| SCHEMBL9594567 | 0.79 | — | — |
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-112041303-A | Process for preparing substituted heterocyclic compounds | PI工业有限公司 | 2020-12-04 | — | — | CN | disclosed |