⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28472 | 0.96 | — | — | |
| Methane SCHEMBL2750066 | 0.93 | — | — | |
| Lithium SCHEMBL31720378 | 0.93 | — | — | |
| SCHEMBL6957381 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1781764 | 0.93 | — | — | |
| SCHEMBL27897728 | 0.93 | — | — | |
| Ethane SCHEMBL16294625 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL28344666 | 0.90 | — | — | |
| Alcohol SCHEMBL28322673 | 0.84 | — | — | |
| SCHEMBL28382341 | 0.80 | TSHR (0.41) | — |
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-104910901-A | Method used for preparing ZnO/SiO2 nano composite material | HARBIN INST OF TECHNOLOGY | 2015-09-16 | — | — | CN | disclosed |