⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22370918 | 0.87 | — | — | |
| SCHEMBL20656664 | 0.87 | — | — | |
| SCHEMBL28388948 | 0.87 | — | — | |
| Water SCHEMBL27825194 | 0.87 | — | — | |
| SCHEMBL28922192 | 0.87 | — | — | |
| SCHEMBL1934876 | 0.87 | — | — | |
| SCHEMBL28017974 | 0.87 | — | — | |
| SCHEMBL1428589 | 0.82 | — | — | |
| SCHEMBL185971 | 0.82 | — | — | |
| SCHEMBL18204297 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110759743-B | Glass-vermiculite composite sealing material and preparation method and application thereof | 中国矿业大学(北京) | 2020-08-28 | — | — | CN | disclosed |
| CN-110759743-A | Glass-vermiculite composite sealing material and preparation method and application thereof | 中国矿业大学(北京) | 2020-02-07 | — | — | CN | disclosed |