⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11221693 | 0.78 | — | — | |
| SCHEMBL11534184 | 0.77 | HRH4 (0.33) | — | |
| Bromide SCHEMBL11679779 | 0.77 | HRH2 (0.37) | — | |
| Bromide SCHEMBL11752048 | 0.74 | HRH2 (0.35) | — | |
| SCHEMBL25092061 | 0.71 | — | — | |
| SCHEMBL9967679 | 0.70 | — | — | |
| SCHEMBL20168461 | 0.69 | — | — | |
| SCHEMBL23337417 | 0.67 | — | — | |
| SCHEMBL24426979 | 0.67 | — | — | |
| SCHEMBL24378687 | 0.67 | — | — |
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-4336394-A | Cyano-ureas, cyano-thioureas and their preparation methods | SOCIETE DE RECHERCHES ET DE SNYTHESES ORGAIQUES SA (CH) | 1982-06-22 | — | — | US | disclosed |