⚠ 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 | |
|---|---|---|---|---|
| Chloroform SCHEMBL20971419 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL10588218 | 0.80 | — | — | |
| SCHEMBL2556849 | 0.79 | — | — | |
| SCHEMBL7725 | 0.79 | — | — | |
| Methylamine SCHEMBL6881996 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL20338127 | 0.75 | ALDH1A1 (0.75) | — | |
| Methyl Alcohol SCHEMBL876988 | 0.75 | TSHR (0.75) | — | |
| SCHEMBL4214115 | 0.75 | — | — | |
| Hydrazine SCHEMBL22042855 | 0.75 | — | — | |
| SCHEMBL9775749 | 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-113504196-A | Method for detecting content of polyvinyl alcohol by spectrophotometry | 珠海联邦制药股份有限公司 | 2021-10-15 | — | — | CN | disclosed |