⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10653457 | 1.00 | — | — | |
| Bromide SCHEMBL10657666 | 0.98 | — | — | |
| SCHEMBL10657569 | 0.89 | — | — | |
| SCHEMBL10657564 | 0.89 | — | — | |
| SCHEMBL10654610 | 0.82 | — | — | |
| SCHEMBL10656313 | 0.80 | NOS3 (0.45) | — | |
| SCHEMBL10656317 | 0.80 | NOS3 (0.45) | — | |
| Bromide SCHEMBL10655151 | 0.76 | — | — | |
| Bromide SCHEMBL10656301 | 0.76 | NOS3 (0.47) | — | |
| Bromide SCHEMBL10658725 | 0.76 | HRH4 (0.31) | — |
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 1 patent. 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 | claimed |