⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9079795 | 0.67 | — | — | |
| SCHEMBL1389201 | 0.64 | — | — | |
| SCHEMBL4633596 | 0.64 | — | — | |
| Methane SCHEMBL2888075 | 0.64 | — | — | |
| SCHEMBL173591 | 0.60 | — | — | |
| SCHEMBL17943 | 0.60 | — | — | |
| SCHEMBL11270985 | 0.57 | — | — | |
| SCHEMBL11044982 | 0.56 | CA1 (0.31) | — | |
| Fluoride SCHEMBL2218394 | 0.55 | — | — | |
| SCHEMBL29942251 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4492598-A | Sulfonylureas having heterocyclic substituents, and their use in agriculture | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-01-08 | — | — | US | disclosed |
| US-4170648-A | Phosphonothioureide anthelmintics | ROHM AND HAAS COMPANY (US) | 1979-10-09 | — | — | US | disclosed |
| US-4086336-A | Phosphonothioureide anthelmintics | ROHM AND HAAS COMPANY (US) | 1978-04-25 | — | — | US | disclosed |