⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8424470 | 1.00 | — | — | |
| Bicarbonate SCHEMBL10653452 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL3392640 | 0.71 | — | — | |
| SCHEMBL3072301 | 0.65 | — | — | |
| SCHEMBL20159839 | 0.65 | — | — | |
| SCHEMBL1303361 | 0.63 | — | — | |
| SCHEMBL28315347 | 0.63 | — | — | |
| SCHEMBL219812 | 0.63 | — | — | |
| SCHEMBL938362 | 0.63 | — | — | |
| Water SCHEMBL10523962 | 0.61 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0176546-B1 | ISOTHIURONIUM SALTS | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1988-03-02 | — | — | EP | disclosed |
| US-4710578-A | ANTITUMOR AGENTS, MITICIDES | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1987-12-01 | — | — | US | disclosed |
| EP-0176546-A1 | ISOTHIURONIUM SALTS. | PEREMARTONI VEGYIPARI VALLALAT (HU) | 1986-04-09 | — | — | EP | disclosed |
| WO-1985004399-A1 | ISOTHIURONIUM SALTS | PEREMARTONI VEGYIPARI VÁLLALAT (HU) | 1985-10-10 | — | — | WO | disclosed |