⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14885 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL9254177 | 0.90 | — | — | |
| Water SCHEMBL27609789 | 0.90 | — | — | |
| SCHEMBL1896963 | 0.90 | — | — | |
| SCHEMBL31099624 | 0.90 | — | — | |
| Methane SCHEMBL27304423 | 0.90 | — | — | |
| Formic Acid SCHEMBL27838552 | 0.76 | — | — | |
| Carbamic Acid SCHEMBL7903942 | 0.76 | — | — | |
| Carbon Dioxide SCHEMBL2359185 | 0.65 | — | — | |
| SCHEMBL1557938 | 0.63 | — | — |
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-108350207-A | Thermally decomposable compound and method for foaming resin using same | 株式会社东进世美肯 | 2018-07-31 | — | — | CN | disclosed |