⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1067947 | 0.96 | ALDH1A1 (0.46) | — | |
| SCHEMBL63327 | 0.96 | — | — | |
| SCHEMBL50501 | 0.96 | — | — | |
| SCHEMBL64078 | 0.96 | — | — | |
| SCHEMBL20049438 | 0.93 | ALDH1A1 (0.43) | — | |
| SCHEMBL12514606 | 0.93 | ALDH1A1 (0.43) | — | |
| SCHEMBL9491437 | 0.93 | — | — | |
| SCHEMBL26784069 | 0.93 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL11738986 | 0.93 | — | — | |
| Water SCHEMBL27310926 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501539-A | Aldehyde radical functional polyethers polyol copolymer and its preparation method and application | 中国科学院福建物质结构研究所 | 2017-12-22 | — | — | CN | disclosed |
| EP-1409469-B1 | RECOVERY AND PURIFICATION OF 3,4-EPOXY-1-BUTENE | EASTMAN CHEM CO (US) | 2004-11-10 | — | — | EP | disclosed |
| EP-1409469-A1 | RECOVERY AND PURIFICATION OF 3,4-EPOXY-1-BUTENE | EASTMAN CHEMICAL COMPANY (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003008400-A1 | RECOVERY AND PURIFICATION OF 3,4-EPOXY-1-BUTENE | EASTMAN CHEMICAL COMPANY (US) | 2003-01-30 | — | — | WO | disclosed |
| US-6395913-B1 | EPOXIDATION OF BUTADIENE WITH OXYGEN | EASTMAN CHEMICAL COMPANY | 2002-05-28 | — | — | US | disclosed |