⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL981116 | 0.71 | — | — | |
| SCHEMBL7099612 | 0.71 | — | — | |
| SCHEMBL13340881 | 0.70 | NUAK1 (0.31) | — | |
| SCHEMBL702562 | 0.69 | — | — | |
| SCHEMBL6003789 | 0.67 | — | — | |
| SCHEMBL8508168 | 0.67 | — | — | |
| SCHEMBL7741531 | 0.67 | — | — | |
| SCHEMBL12404372 | 0.67 | — | — | |
| SCHEMBL16445704 | 0.67 | — | — | |
| SCHEMBL4582932 | 0.67 | — | — |
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-1112268-A1 | CONDENSED HETEROCYCLIC COMPOUNDS AND HERBICIDES CONTAINING THEM | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015633-A1 | CONDENSED HETEROCYLIC COMPOUNDS AND HERBICIDES CONTAINING THEM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-03-23 | — | — | WO | disclosed |
| EP-0698641-A1 | Cationic 1,3,4-thiadiazole dyes | BAYER AG (DE) | 1996-02-28 | — | — | EP | disclosed |