⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30861 | 0.82 | — | — | |
| Alcohol SCHEMBL5250738 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL5903441 | 0.72 | — | — | |
| SCHEMBL10343075 | 0.71 | — | — | |
| SCHEMBL6689956 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL31555967 | 0.69 | — | — | |
| SCHEMBL13621314 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL13621313 | 0.67 | TSHR (0.30) | — | |
| Catechol SCHEMBL7655560 | 0.67 | MAPT (0.42) | — | |
| SCHEMBL9426197 | 0.66 | TSHR (0.32) | — |
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-0594621-A1 | PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS | Roche Diagnostics GmbH (DE) | 1994-05-04 | — | — | EP | disclosed |
| WO-1993002034-A1 | PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS | BOEHRINGER MANNHEIM GMBH (DE) | 1993-02-04 | — | — | WO | disclosed |