⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6530699 | 0.72 | — | — | |
| SCHEMBL6529708 | 0.68 | — | — | |
| SCHEMBL11207397 | 0.68 | — | — | |
| SCHEMBL4815940 | 0.64 | HTR7 (0.51) | — | |
| SCHEMBL7020542 | 0.63 | APEX1 (0.46) | — | |
| SCHEMBL1019521 | 0.62 | — | — | |
| SCHEMBL7016817 | 0.61 | GAA (0.32) | — | |
| SCHEMBL7017995 | 0.61 | — | — | |
| SCHEMBL7018482 | 0.61 | — | — | |
| SCHEMBL1015425 | 0.61 | — | — |
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-2005026139-A1 | NEMATICIDAL DIFLUOROALKENES | BAYER CROPSCIENCE AG (DE) | 2005-03-24 | — | — | WO | disclosed |