⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24372529 | 0.77 | — | — | |
| SCHEMBL7602136 | 0.77 | — | — | |
| SCHEMBL25070829 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL7999129 | 0.71 | — | — | |
| SCHEMBL2644167 | 0.71 | — | — | |
| SCHEMBL7263481 | 0.71 | — | — | |
| SCHEMBL21725242 | 0.71 | FDPS (0.33) | — | |
| SCHEMBL1995649 | 0.71 | SLC6A3 (0.31) | — | |
| SCHEMBL2470516 | 0.67 | — | — | |
| SCHEMBL9479926 | 0.65 | SMN1; SMN2 (0.37) | — |
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-2003029231-A1 | NEMATICIDAL TRIFLUOROBUTENE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2003-04-10 | — | — | WO | disclosed |