⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2526071 | 0.97 | — | — | |
| SCHEMBL261205 | 0.89 | — | — | |
| SCHEMBL70336 | 0.77 | — | — | |
| SCHEMBL990996 | 0.72 | — | — | |
| SCHEMBL8903874 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL992888 | 0.72 | — | — | |
| SCHEMBL4752145 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL6900407 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL6900404 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL991831 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9580444-B2 | Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof | SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) | 2017-02-28 | — | — | US | disclosed |
| US-20160024110-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2016-01-28 | — | — | US | disclosed |
| EP-2975040-A1 | POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF | Sagami Chemical Research Institute (JP) | 2016-01-20 | — | — | EP | disclosed |
| 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 |
| US-5252540-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-12 | — | — | US | 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 |
| EP-0482349-A2 | Sulfonamides | BASF Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | disclosed |