⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7576518 | 0.69 | — | — | |
| SCHEMBL29531465 | 0.64 | DNM1 (0.47) | — | |
| Hexane SCHEMBL11566275 | 0.62 | TSHR (0.58) | — | |
| Hydrogen Sulfide SCHEMBL16734975 | 0.61 | DNM1 (0.45) | — | |
| Iodide SCHEMBL553389 | 0.61 | DNM1 (0.45) | — | |
| Water SCHEMBL553358 | 0.61 | DNM1 (0.45) | — | |
| Fluoride Ion SCHEMBL15738678 | 0.61 | DNM1 (0.45) | — | |
| Water SCHEMBL27528266 | 0.61 | — | — | |
| SCHEMBL28582 | 0.61 | — | — | |
| Hexane SCHEMBL9763562 | 0.61 | TDP1 (0.57) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |