⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL2766859 | 1.00 | — | — | |
| Thiourea SCHEMBL29055695 | 0.94 | — | — | |
| Thiourea SCHEMBL850383 | 0.93 | — | — | |
| Thiourea SCHEMBL30536984 | 0.93 | — | — | |
| Thiourea SCHEMBL1008 | 0.93 | — | — | |
| Thiourea SCHEMBL30536978 | 0.93 | — | — | |
| Thiourea SCHEMBL9462339 | 0.88 | — | — | |
| Thiourea SCHEMBL9549968 | 0.86 | — | — | |
| Thiourea SCHEMBL316387 | 0.86 | — | — | |
| Thiourea SCHEMBL1904027 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5575899-A | ELECTROLYSIS OF A SOLUTION OF ZINC CHLORIDE, NICKEL CHLORIDE AND POTASSIUM CHLORIDE, NONIONIC SURFACTANT WITH NICOTINIC ACID, UREA, THIOUREA, NICOTINAMIDE, THIOGLYCOLIC ACID AND SODIUM THIOSULFATE | KAWASAKI STEEL CORPORATION (JP) | 1996-11-19 | — | — | US | disclosed |