⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL562648 | 0.69 | — | — | |
| SCHEMBL4971659 | 0.65 | — | — | |
| SCHEMBL6181276 | 0.61 | — | — | |
| SCHEMBL28827642 | 0.60 | — | — | |
| SCHEMBL5610657 | 0.60 | — | — | |
| SCHEMBL14310014 | 0.58 | — | — | |
| SCHEMBL2558694 | 0.58 | — | — | |
| SCHEMBL13906253 | 0.58 | — | — | |
| SCHEMBL29916391 | 0.57 | HPGD (0.45) | — | |
| SCHEMBL14401393 | 0.56 | PIM1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6303822-B1 | Aromatic hydroxythiol synthesis using diazonium salts | ALLIEDSIGNAL INC. | 2001-10-16 | — | — | US | disclosed |
| EP-1140816-A1 | AROMATIC HYDROXYTHIOL SYNTHESIS USING DIAZONIUMSALTS | AlliedSignal Inc. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037439-A1 | AROMATIC HYDROXYTHIOL SYNTHESIS USING DIAZONIUM SALTS | ALLIEDSIGNAL INC. (US) | 2000-06-29 | — | — | WO | disclosed |
| US-6054622-A | Aromatic hydroxythiol synthesis using diazonium salts | ALLIEDSIGNAL INC (US) | 2000-04-25 | — | — | US | disclosed |