⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7169070 | 1.00 | — | — | |
| SCHEMBL896017 | 0.85 | — | — | |
| SCHEMBL23929042 | 0.85 | — | — | |
| SCHEMBL6416034 | 0.79 | HCAR2 (0.40) | — | |
| SCHEMBL11493877 | 0.78 | — | — | |
| SCHEMBL11493874 | 0.78 | — | — | |
| SCHEMBL28404179 | 0.76 | — | — | |
| SCHEMBL9679772 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL9679783 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL7787851 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110330415-B | Preparation method of isopentenal | 万华化学集团股份有限公司 | 2022-04-22 | — | — | CN | disclosed |
| US-6559241-B2 | Process for producing a hydrogenated polymer | KURARAY CO., LTD. (JP) | 2003-05-06 | — | — | US | disclosed |
| US-20020137854-A1 | Process for producing a hydrogenated polymer | KURARAY CO. LTD. (JP) | 2002-09-26 | — | — | US | disclosed |
| EP-1241189-A1 | Process for producing a hydrogenated polymer | KURARAY CO., LTD. (JP) | 2002-09-18 | — | — | EP | disclosed |