⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27582 | 0.91 | — | — | |
| SCHEMBL28193773 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL7065470 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL7362686 | 0.71 | — | — | |
| SCHEMBL27417225 | 0.69 | — | — | |
| SCHEMBL6727310 | 0.69 | — | — | |
| SCHEMBL5670332 | 0.69 | — | — | |
| SCHEMBL7953355 | 0.69 | — | — | |
| SCHEMBL6050312 | 0.69 | — | — | |
| Ethylene SCHEMBL10595082 | 0.67 | TSHR (0.53) | — |
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-1095807-C | Composite alkali aluminum hydroxide carbonate, and process for production and use thereof | MIZUSAWA CHEMICAL INDUSTRY LTD (JP) | 2002-12-11 | — | — | CN | disclosed |
| CN-1172462-A | Composite alkali aluminum hydroxide carbonate, and process for production and use thereof | MIZUSAWA IND CHEMICAL LTD (JP) | 1998-02-04 | — | — | CN | disclosed |