⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL810971 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL6346433 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL11667053 | 0.74 | CA1 (0.32) | — | |
| Vinyl Ether SCHEMBL27684877 | 0.73 | CA1 (0.38) | — | |
| Vinyl Ether SCHEMBL28133797 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL6355777 | 0.71 | CA1 (0.36) | — | |
| SCHEMBL7180146 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL13213063 | 0.70 | CA1 (0.39) | — | |
| Biphenyl SCHEMBL17667203 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL2955039 | 0.70 | CA1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3162822-B1 | MONOMER COMPOSITION AND CURABLE COMPOSITION CONTAINING SAME | DAICEL CORP (JP) | 2020-08-26 | — | — | EP | disclosed |
| US-20170130079-A1 | MONOMER COMPOSITION AND CURABLE COMPOSITION CONTAINING SAME | DAICEL CORPORATION (JP) | 2017-05-11 | — | — | US | disclosed |
| EP-3162822-A1 | MONOMER COMPOSITION AND CURABLE COMPOSITION CONTAINING SAME | Daicel Corporation (JP) | 2017-05-03 | — | — | EP | disclosed |