⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937692 | 0.82 | — | — | |
| SCHEMBL7937919 | 0.69 | — | — | |
| SCHEMBL7936358 | 0.68 | — | — | |
| SCHEMBL926581 | 0.66 | — | — | |
| SCHEMBL3479880 | 0.65 | ADH1C (0.42) | — | |
| SCHEMBL6027208 | 0.65 | — | — | |
| SCHEMBL8087564 | 0.64 | ADH1C (0.46) | — | |
| SCHEMBL3479785 | 0.64 | ADH1C (0.46) | — | |
| SCHEMBL8087321 | 0.64 | ADH1C (0.46) | — | |
| SCHEMBL5461538 | 0.64 | ADH1C (0.46) | — |
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-2009099436-A1 | CURABLE COMPOSITIONS PREPARED FROM MULTIFUNCTIONAL AND HYBRID N-VINYLFORMAMIDE COMPOUNDS | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |