⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL604100 | 0.84 | — | — | |
| SCHEMBL11811959 | 0.83 | — | — | |
| Tetrahydrofuran SCHEMBL17114599 | 0.78 | — | — | |
| SCHEMBL1373713 | 0.77 | — | — | |
| SCHEMBL3717746 | 0.74 | — | — | |
| Piperidine SCHEMBL22556777 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL1433046 | 0.65 | — | — | |
| SCHEMBL31513568 | 0.64 | CA1 (0.43) | — | |
| SCHEMBL8132933 | 0.63 | ALDH1A1 (0.45) | — | |
| SCHEMBL16797534 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0439607-A4 | NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES | — | 1991-12-04 | — | — | EP | disclosed |
| EP-0439607-A1 | NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES | ISK BIOSCIENCES CORPORATION (US) | 1991-08-07 | — | — | EP | disclosed |
| WO-1991000009-A1 | NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES | FERMENTA ASC CORPORATION (US) | 1991-01-10 | — | — | WO | disclosed |