⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL7650932 | 0.91 | ALDH1A1 (0.56) | — | |
| Acetone SCHEMBL4827034 | 0.86 | — | — | |
| Formic Acid Methyl Ester SCHEMBL7652631 | 0.84 | ALDH1A1 (0.62) | — | |
| Acetic Acid Methyl Ester SCHEMBL7161235 | 0.83 | — | — | |
| Acetic Acid SCHEMBL10886545 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL7792284 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3080739 | 0.82 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.82 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.82 | ALDH1A1 (1.00) | — | |
| Formic Acid Methyl Ester SCHEMBL808429 | 0.80 | HCAR2 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119920819-A | Battery electrode | 通用汽车环球科技运作有限责任公司 | 2025-05-02 | — | — | CN | disclosed |
| EP-1226103-A1 | METHANOL PLANT RETROFIT FOR MANUFACTURE OF ACETIC ACID | Acetex (Cyprus) Limited (CY) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001032594-A1 | METHANOL PLANT RETROFIT FOR MANUFACTURE OF ACETIC ACID | ACETEX (CYPRUS) LIMITED (CY) | 2001-05-10 | — | — | WO | disclosed |