⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL9248674 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL6 | 0.82 | — | — | |
| Ether SCHEMBL21406 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.82 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL1312666 | 0.77 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL8322124 | 0.77 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL3653511 | 0.77 | — | — | |
| Ether SCHEMBL10719709 | 0.77 | — | — | |
| Ether SCHEMBL21381179 | 0.77 | — | — |
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-108912328-B | Preparation method of heavy metal ion chelating agent | 南方科技大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-108912328-A | Preparation method of heavy metal ion chelating agent | 南方科技大学 | 2018-11-30 | — | — | CN | disclosed |
| EP-0521082-A1 | PLANT GROWTH REGULATION | UNION OIL COMPANY OF CALIFORNIA (US) | 1993-01-07 | — | — | EP | disclosed |
| WO-1991014366-A1 | PLANT GROWTH REGULATION | UNION OIL COMPANY OF CALIFORNIA (US) | 1991-10-03 | — | — | WO | disclosed |
| US-4889885-A | IMPROVED MECHANICAL CHARACTERISTICS AND HEAT RESISTANCE | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 1989-12-26 | — | — | US | disclosed |