⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11040839 | 0.78 | — | — | |
| SCHEMBL11040845 | 0.78 | — | — | |
| SCHEMBL2095164 | 0.73 | — | — | |
| SCHEMBL11043238 | 0.73 | — | — | |
| SCHEMBL13534781 | 0.71 | — | — | |
| SCHEMBL3211928 | 0.69 | — | — | |
| SCHEMBL4800412 | 0.67 | — | — | |
| SCHEMBL105383 | 0.65 | — | — | |
| SCHEMBL2401883 | 0.65 | — | — | |
| SCHEMBL4945757 | 0.65 | ALDH1A1 (0.33) | — |
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 5 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 |
| US-5378680-A | Dicarboximides and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | 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 |
| US-5176739-A | Plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-01-05 | — | — | US | disclosed |