⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10715036 | 0.96 | — | — | |
| SCHEMBL5154147 | 0.85 | — | — | |
| Acetic Acid SCHEMBL11124201 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL38438 | 0.79 | — | — | |
| Alcohol SCHEMBL1226116 | 0.78 | AKR1B1 (0.31) | — | |
| SCHEMBL7777017 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL6885496 | 0.75 | TSHR (0.31) | — | |
| Butane SCHEMBL722315 | 0.75 | ALDH1A1 (0.38) | — | |
| Alcohol SCHEMBL381890 | 0.75 | — | — | |
| Acetic Acid SCHEMBL11358887 | 0.75 | FFAR3 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812373-A1 | PROCESS AND APPARATUS FOR IMPROVED METHODS FOR MAKING VINYL ACETATE MONOMER (VAM) | Velocys, Inc. (US) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006052615-A1 | PROCESS AND APPARATUS FOR IMPROVED METHODS FOR MAKING VINYL ACETATE MONOMER (VAM) | VELOCYS, INC. (US) | 2006-05-18 | — | — | WO | disclosed |