⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6531428 | 0.68 | — | — | |
| SCHEMBL5822508 | 0.66 | FAAH (0.31) | — | |
| SCHEMBL7019641 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL7026230 | 0.65 | — | — | |
| SCHEMBL7018728 | 0.64 | — | — | |
| SCHEMBL7028387 | 0.64 | NOS1 (0.30) | — | |
| SCHEMBL7018955 | 0.64 | — | — | |
| SCHEMBL7021912 | 0.63 | POLB (0.32) | — | |
| SCHEMBL7023210 | 0.61 | — | — | |
| SCHEMBL7020802 | 0.60 | — | — |
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 |