⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6733149 | 0.81 | — | — | |
| SCHEMBL6721324 | 0.78 | — | — | |
| SCHEMBL8554515 | 0.75 | MAPT (0.41) | — | |
| SCHEMBL6725371 | 0.70 | — | — | |
| SCHEMBL8127952 | 0.70 | — | — | |
| SCHEMBL6724216 | 0.66 | — | — | |
| SCHEMBL6725377 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL6732612 | 0.61 | — | — | |
| SCHEMBL6725406 | 0.60 | CA2 (0.32) | — | |
| SCHEMBL6723735 | 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-1997001550-A1 | HERBICIDAL KETALS AND SPIROCYCLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-16 | — | — | WO | disclosed |