⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28445148 | 0.93 | — | — | |
| SCHEMBL9440396 | 0.93 | CA1 (0.35) | — | |
| SCHEMBL7042120 | 0.74 | — | — | |
| Choline SCHEMBL10353660 | 0.74 | LMNA (0.48) | — | |
| SCHEMBL30278632 | 0.70 | CA4 (0.36) | — | |
| SCHEMBL668786 | 0.70 | CA4 (0.46) | — | |
| SCHEMBL7743544 | 0.70 | — | — | |
| SCHEMBL8426280 | 0.70 | — | — | |
| Potassium Ion SCHEMBL80042 | 0.70 | CA4 (0.46) | — | |
| Fluoride SCHEMBL28155078 | 0.67 | CA4 (0.43) | — |
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-110382454-B | Process for producing ethylenically unsaturated carboxylic acid esters and catalyst therefor | 三菱化学英国有限公司 | 2023-05-30 | — | — | CN | disclosed |