⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49997 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL31655513 | 0.98 | NFE2L2 (0.62) | — | |
| Cyanide SCHEMBL28745996 | 0.93 | NFE2L2 (0.58) | — | |
| SCHEMBL23044766 | 0.91 | NFE2L2 (0.56) | — | |
| SCHEMBL7475909 | 0.81 | NFE2L2 (0.60) | — | |
| SCHEMBL21881 | 0.81 | TDP1 (0.67) | — | |
| SCHEMBL31317689 | 0.79 | NFE2L2 (1.00) | — | |
| SCHEMBL3300301 | 0.79 | NFE2L2 (0.71) | — | |
| SCHEMBL700536 | 0.79 | NFE2L2 (1.00) | — | |
| SCHEMBL700537 | 0.79 | NFE2L2 (1.00) | — |
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-109705027-B | 1, 2-di (pyridyl) -3, 4-di (4-pyridylvinyl-3-fluorobenzene) cyclobutane and preparation method thereof | 广西民族大学 | 2022-05-31 | — | — | CN | disclosed |