⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL161626 | 0.80 | — | — | |
| SCHEMBL30945823 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL355105 | 0.77 | — | — | |
| Hydrogen Sulfide SCHEMBL5678801 | 0.77 | — | — | |
| SCHEMBL8050146 | 0.77 | — | — | |
| SCHEMBL922299 | 0.77 | ESR2 (0.35) | — | |
| SCHEMBL1270870 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL30945787 | 0.74 | OPRM1 (0.31) | — | |
| SCHEMBL69189 | 0.73 | — | — | |
| SCHEMBL22641280 | 0.71 | — | — |
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-118382612-A | Method for producing blocked isocyanate compound and method for producing isocyanate compound | 旭化成株式会社 | 2024-07-23 | — | — | CN | disclosed |