⚠ 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 | |
|---|---|---|---|---|
| Dimethyl Methylphosphonate SCHEMBL35767 | 0.96 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL30393703 | 0.96 | CA2 (0.36) | — | |
| Dimethyl Methylphosphonate SCHEMBL972844 | 0.92 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL626094 | 0.92 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL27978303 | 0.92 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL27738075 | 0.92 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL30950306 | 0.92 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL27763775 | 0.92 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL28197288 | 0.88 | — | — | |
| Dimethyl Methylphosphonate SCHEMBL28016793 | 0.88 | — | — |
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-105778335-B | A kind of heat-insulating flame-retardant polyvinyl chloride fire resistant doorsets of rock wool filling and preparation method thereof | 中塑联新材料科技湖北有限公司 | 2018-01-16 | — | — | CN | disclosed |