⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32678 | 0.89 | — | — | |
| SCHEMBL1200848 | 0.89 | ALDH1A1 (0.50) | — | |
| SCHEMBL2339546 | 0.85 | — | — | |
| SCHEMBL11125850 | 0.85 | ALDH1A1 (0.47) | — | |
| Ethylene SCHEMBL2199923 | 0.85 | — | — | |
| Formaldehyde SCHEMBL23142310 | 0.85 | — | — | |
| Water SCHEMBL23879217 | 0.85 | — | — | |
| SCHEMBL11551884 | 0.85 | — | — | |
| Methane SCHEMBL756364 | 0.85 | — | — | |
| Methyl Alcohol SCHEMBL6914031 | 0.85 | — | — |
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-105050995-A | Process for the preparation of methacrylic acid and methacrylic acid esters | EVONIK ROEHM GMBH | 2015-11-11 | — | — | CN | disclosed |