⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9042673 | 0.92 | — | — | |
| SCHEMBL8744945 | 0.82 | — | — | |
| SCHEMBL9311041 | 0.79 | — | — | |
| SCHEMBL9311043 | 0.79 | — | — | |
| SCHEMBL8744929 | 0.76 | — | — | |
| SCHEMBL703710 | 0.76 | — | — | |
| SCHEMBL4937028 | 0.76 | — | — | |
| Fluoride SCHEMBL1149782 | 0.75 | CES1 (0.31) | — | |
| SCHEMBL21882 | 0.75 | — | — | |
| SCHEMBL10359851 | 0.72 | — | — |
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-0741733-A1 | PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | Novartis AG (CH) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995021174-A1 | PHENYLIMINO-THIADIAZABICYCLOALKANE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | CIBA-GEIGY AG (CH) | 1995-08-10 | — | — | WO | disclosed |