⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7213346 | 0.97 | CHRNB2 (0.30) | — | |
| SCHEMBL23469152 | 0.92 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL16874318 | 0.90 | GAA (0.31) | — | |
| Alcohol SCHEMBL14110130 | 0.89 | UGT2B7 (0.32) | — | |
| Propanol SCHEMBL14110064 | 0.85 | UGT2B7 (0.32) | — | |
| Alcohol SCHEMBL14109375 | 0.83 | GAA (0.32) | — | |
| Alcohol SCHEMBL14109538 | 0.81 | GAA (0.31) | — | |
| SCHEMBL7933335 | 0.81 | — | — | |
| Alcohol SCHEMBL14109649 | 0.81 | GAA (0.31) | — | |
| Butyl Alcohol SCHEMBL14109080 | 0.81 | ALDH1A1 (0.38) | — |
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-112533902-A | Compositions comprising nitroxide inhibitors, quinone methide blockers and amine stabilizers to inhibit polymerization of monomers | 埃科莱布美国股份有限公司 | 2021-03-19 | — | — | CN | disclosed |