⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3935118 | 0.92 | THRB (0.35) | — | |
| SCHEMBL8744941 | 0.82 | — | — | |
| SCHEMBL8731117 | 0.77 | — | — | |
| SCHEMBL27995759 | 0.72 | — | — | |
| SCHEMBL2481246 | 0.72 | — | — | |
| SCHEMBL21187431 | 0.70 | NOS3 (0.31) | — | |
| SCHEMBL8744882 | 0.69 | — | — | |
| SCHEMBL9338837 | 0.69 | — | — | |
| SCHEMBL10583417 | 0.69 | — | — | |
| SCHEMBL14306652 | 0.69 | HTR1A (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0628026-B1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE | BASF AG (DE) | 1997-01-22 | — | — | EP | disclosed |