⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21858481 | 0.67 | — | — | |
| SCHEMBL9443142 | 0.65 | — | — | |
| SCHEMBL1820868 | 0.62 | — | — | |
| SCHEMBL21858467 | 0.61 | — | — | |
| SCHEMBL19417888 | 0.56 | — | — | |
| SCHEMBL16310952 | 0.53 | — | — | |
| SCHEMBL15660873 | 0.49 | — | — | |
| SCHEMBL24856800 | 0.47 | — | — | |
| SCHEMBL14389159 | 0.43 | — | — | |
| SCHEMBL2993638 | 0.43 | — | — |
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-4410354-A | Spiro ether herbicides | SHELL OIL COMPANY (US) | 1983-10-18 | — | — | US | disclosed |