⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19668570 | 0.75 | — | — | |
| SCHEMBL29082595 | 0.73 | — | — | |
| SCHEMBL4929111 | 0.72 | SLC6A2 (0.36) | — | |
| SCHEMBL15173830 | 0.72 | — | — | |
| SCHEMBL28577555 | 0.69 | — | — | |
| SCHEMBL284308 | 0.69 | — | — | |
| SCHEMBL4263981 | 0.69 | — | — | |
| SCHEMBL129326 | 0.69 | — | — | |
| SCHEMBL93405 | 0.69 | — | — | |
| SCHEMBL14520445 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5959162-A | Process for the preparation of 2-alkene-1,4-diols and 3-alkene-1,2-diols from γ,δ-epoxyalkenes | EASTMAN CHEMICAL COMPANY (US) | 1999-09-28 | — | — | US | disclosed |
| EP-0912478-A1 | PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS | EASTMAN CHEMICAL COMPANY (US) | 1999-05-06 | — | — | EP | disclosed |
| EP-0912477-A1 | PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM $g(g),$g(d)-EPOXYALKENES | EASTMAN CHEMICAL COMPANY (US) | 1999-05-06 | — | — | EP | disclosed |
| US-5856591-A | USING AN EPOXYALKENE SOLVENT | EASTMAN CHEM CO (US) | 1999-01-05 | — | — | US | disclosed |
| WO-1998002405-A9 | PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS | — | 1998-06-04 | — | — | WO | disclosed |
| WO-1998002404-A1 | PROCESS FOR THE PREPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1,2-DIOLS FROM η,δ-EPOXYALKENES | EASTMAN CHEMICAL COMPANY (US) | 1998-01-22 | — | — | WO | disclosed |
| WO-1998002405-A1 | PROCESS FOR THE SEPARATION OF 2-ALKENE-1,4-DIOLS AND 3-ALKENE-1, 2-DIOLS FROM CATALYSTS | EASTMAN CHEMICAL COMPANY (US) | 1998-01-22 | — | — | WO | disclosed |