⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7166378 | 0.90 | — | — | |
| SCHEMBL7159838 | 0.87 | — | — | |
| SCHEMBL7164795 | 0.80 | — | — | |
| SCHEMBL7892359 | 0.80 | CYP3A4 (0.32) | — | |
| SCHEMBL7171716 | 0.79 | USP2 (0.31) | — | |
| SCHEMBL7896004 | 0.77 | — | — | |
| SCHEMBL7158668 | 0.77 | — | — | |
| SCHEMBL7162955 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL7893890 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL9857351 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0879239-B1 | SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES | BASF AG (DE) | 2003-04-23 | — | — | EP | disclosed |
| US-6175007-B1 | HERBICIDES AND DEFOLIANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-16 | — | — | US | disclosed |
| EP-0879239-A1 | SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-25 | — | — | EP | disclosed |
| WO-1997030060-A1 | SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-21 | — | — | WO | disclosed |