⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11415065 | 0.78 | — | — | |
| SCHEMBL9462639 | 0.68 | — | — | |
| SCHEMBL1271544 | 0.67 | — | — | |
| Chloroform SCHEMBL8004292 | 0.67 | — | — | |
| SCHEMBL11516607 | 0.66 | — | — | |
| SCHEMBL5850837 | 0.65 | CTSA (0.38) | — | |
| SCHEMBL2457758 | 0.64 | — | — | |
| SCHEMBL1250877 | 0.64 | — | — | |
| SCHEMBL2020126 | 0.64 | — | — | |
| SCHEMBL784177 | 0.64 | — | — |
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-RE31300-E | Process for preparing alkyl- or arylphosphonothioic dihalides | STAUFFER CHEMICAL COMPANY (US) | 1983-07-05 | — | — | US | disclosed |
| US-4133830-A | RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD | STAUFFER CHEMICAL COMPANY (US) | 1979-01-09 | — | — | US | disclosed |
| US-3968156-A | Process for preparing alkyl-or arylphosphonothioic dihalides | STAUFFER CHEMICAL COMPANY (US) | 1976-07-06 | — | — | US | disclosed |