⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5033242 | 0.75 | CA2 (0.36) | — | |
| SCHEMBL874874 | 0.75 | — | — | |
| Propyne SCHEMBL7941983 | 0.74 | — | — | |
| SCHEMBL9308155 | 0.72 | — | — | |
| SCHEMBL5028908 | 0.69 | — | — | |
| SCHEMBL5031679 | 0.69 | — | — | |
| SCHEMBL22806710 | 0.69 | — | — | |
| SCHEMBL5033247 | 0.69 | — | — | |
| SCHEMBL11784040 | 0.69 | — | — | |
| SCHEMBL7820 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008055963-A1 | NOVEL METHOD FOR PRODUCING ORGANIC PHOSPHORUS COMPOUNDS, PHOSPHORUS COMPOUNDS PRODUCED USING SAID METHOD, THE METAL COMPLEXES OF SAID COMPOUNDS, AND USE OF SAME | Rheinisch-Westfälische Technische Hochschule Aachen (DE) | 2008-05-15 | — | — | WO | disclosed |