⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12139950 | 0.75 | — | — | |
| SCHEMBL6295791 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL7247171 | 0.73 | HTR1A (0.32) | — | |
| SCHEMBL16284415 | 0.71 | — | — | |
| SCHEMBL19293395 | 0.71 | — | — | |
| SCHEMBL20034983 | 0.71 | HTR1A (0.31) | — | |
| SCHEMBL18352369 | 0.71 | HTR1A (0.31) | — | |
| SCHEMBL25086336 | 0.69 | — | — | |
| SCHEMBL12285812 | 0.69 | METAP2 (0.31) | — | |
| SCHEMBL15907977 | 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 3 patents. 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 |
| EP-0628026-A1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. | BASF AG (DE) | 1994-12-14 | — | — | EP | disclosed |
| WO-1993016985-A1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-02 | — | — | WO | disclosed |