⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7159835 | 0.93 | — | — | |
| SCHEMBL7892852 | 0.86 | BRD9 (0.30) | — | |
| SCHEMBL7164878 | 0.83 | — | — | |
| SCHEMBL7161059 | 0.83 | — | — | |
| SCHEMBL7165063 | 0.82 | — | — | |
| SCHEMBL7166723 | 0.81 | KMT2A (0.37) | — | |
| SCHEMBL7168093 | 0.80 | DHODH (0.30) | — | |
| SCHEMBL7166748 | 0.79 | — | — | |
| SCHEMBL7163619 | 0.77 | — | — | |
| SCHEMBL7167614 | 0.77 | BCAT2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |