⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL7134957 | 0.84 | TSHR (0.50) | — | |
| Ethyl Chloride SCHEMBL28751449 | 0.82 | — | — | |
| Propanol SCHEMBL27832294 | 0.81 | — | — | |
| Dimethyl Sulfoxide SCHEMBL177046 | 0.80 | — | — | |
| Alcohol SCHEMBL2546349 | 0.78 | — | — | |
| SCHEMBL177012 | 0.76 | — | — | |
| SCHEMBL15172357 | 0.76 | — | — | |
| Alcohol SCHEMBL13739714 | 0.75 | — | — | |
| Alcohol SCHEMBL21581950 | 0.75 | — | — | |
| SCHEMBL195849 | 0.75 | — | — |
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-107427869-B | Heavy metal fixing agent for treating ash and method for treating ash using same | 栗田工业株式会社 | 2021-02-02 | — | — | CN | disclosed |