⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13009136 | 0.77 | — | — | |
| SCHEMBL18760171 | 0.76 | — | — | |
| SCHEMBL13292032 | 0.74 | — | — | |
| SCHEMBL13292026 | 0.74 | — | — | |
| SCHEMBL7087126 | 0.73 | — | — | |
| SCHEMBL10472991 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL2802351 | 0.72 | — | — | |
| SCHEMBL7568889 | 0.71 | — | — | |
| SCHEMBL9551948 | 0.71 | — | — | |
| SCHEMBL9215951 | 0.71 | — | — |
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-1045202-C | Process for making 1,3-diols and 3-hydroxyaldehydes | SHELL INT RESEARCH (NL) | 1999-09-22 | — | — | CN | disclosed |
| EP-0682650-B1 | PROCESS FOR MAKING 1,3-DIOLS AND 3-HYDROXYALDEHYDES | SHELL INT RESEARCH (NL) | 1998-05-20 | — | — | EP | disclosed |
| CN-1117289-A | Process for making 1,3-diols and 3-hydroxyaldehydes | SHELL INT RESEARCH (NL) | 1996-02-21 | — | — | CN | disclosed |
| US-5344993-A | Catalytic hydroformylation of epoxides with di-tert-phosphines | SHELL OIL COMPANY (US) | 1994-09-06 | — | — | US | disclosed |