⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12997567 | 0.78 | — | — | |
| SCHEMBL18121620 | 0.73 | — | — | |
| SCHEMBL14489492 | 0.73 | EPHX1 (0.42) | — | |
| SCHEMBL2470640 | 0.73 | — | — | |
| SCHEMBL2464848 | 0.70 | — | — | |
| SCHEMBL17293925 | 0.70 | — | — | |
| SCHEMBL2466538 | 0.69 | — | — | |
| SCHEMBL11585307 | 0.69 | — | — | |
| SCHEMBL21211647 | 0.67 | — | — | |
| SCHEMBL2468943 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0783475-B1 | PROCESS FOR PREPARING 1,3-ALKANEDIOLS AND 3-HYDROXYALDEHYDES | SHELL INT RESEARCH (NL) | 1998-12-09 | — | — | EP | disclosed |
| EP-0783476-B1 | PROCESS FOR PREPARING 1,3-ALKANEDIOLS AND 3-HYDROXYALDEHYDES | SHELL INT RESEARCH (NL) | 1998-12-09 | — | — | EP | disclosed |
| EP-0789679-B1 | PROCESS FOR PREPARING 1,3-ALKANEDIOLS AND 3-HYDROXYALDEHYDES | SHELL INT RESEARCH (NL) | 1998-12-09 | — | — | EP | disclosed |
| EP-0789679-A1 | PROCESS FOR PREPARING 1,3-ALKANEDIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996010551-A1 | PROCESS FOR PREPARING 1,3-ALKANEDIOLS AND 3-HYDROXYALDEHYDES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1996-04-11 | — | — | WO | disclosed |
| EP-0478850-B1 | Process for the preparation of beta-hydroxy aldehydes | SHELL INT RESEARCH (NL) | 1994-09-14 | — | — | EP | disclosed |
| EP-0478850-A1 | Process for the preparation of beta-hydroxy aldehydes | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-04-08 | — | — | EP | disclosed |