⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2006056 | 0.78 | RAB9A (0.37) | — | |
| SCHEMBL2895036 | 0.77 | — | — | |
| SCHEMBL28177679 | 0.69 | — | — | |
| SCHEMBL18329180 | 0.67 | — | — | |
| SCHEMBL28173615 | 0.65 | — | — | |
| SCHEMBL208499 | 0.63 | — | — | |
| SCHEMBL28794311 | 0.62 | — | — | |
| SCHEMBL11203578 | 0.61 | — | — | |
| SCHEMBL919091 | 0.61 | — | — | |
| SCHEMBL5136335 | 0.61 | — | — |
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-107428614-A | Curable grouting composition comprising alkoxysilyl-terminated urethane group-containing polymer, silicone resin, surfactant and aggregate | 瓦克化学股份公司 | 2017-12-01 | — | — | CN | disclosed |