⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL692687 | 0.78 | LMNA (0.42) | — | |
| SCHEMBL19809573 | 0.78 | — | — | |
| SCHEMBL4404375 | 0.74 | — | — | |
| SCHEMBL16677042 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9078744 | 0.72 | — | — | |
| SCHEMBL21811 | 0.70 | — | — | |
| SCHEMBL27985624 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL75527 | 0.70 | — | — | |
| SCHEMBL9705329 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL4637027 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040063581-A1 | Herbicidal oxadiazolidines | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-04-01 | — | — | US | disclosed |