⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7803184 | 0.67 | — | — | |
| SCHEMBL3454386 | 0.65 | — | — | |
| SCHEMBL1932447 | 0.63 | — | — | |
| SCHEMBL50428 | 0.60 | — | — | |
| SCHEMBL1433911 | 0.59 | CYP11B2 (0.30) | — | |
| SCHEMBL3785749 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL17907526 | 0.56 | TSHR (0.32) | — | |
| SCHEMBL2460964 | 0.56 | — | — | |
| SCHEMBL50713 | 0.55 | — | — | |
| SCHEMBL7636853 | 0.54 | GAA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010149527-A1 | METHOD FOR PRODUCING VINYL ACETATE | WACKER CHEMIE AG (DE) | 2010-12-29 | — | — | WO | disclosed |