⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9824402 | 1.00 | — | — | |
| SCHEMBL10482549 | 0.91 | PPOX (0.35) | — | |
| SCHEMBL4885565 | 0.86 | SLC22A12 (0.31) | — | |
| SCHEMBL4885559 | 0.86 | SLC22A12 (0.31) | — | |
| SCHEMBL9492428 | 0.82 | — | — | |
| Fluthiacetmethyl SCHEMBL8437784 | 0.79 | KMT2A (0.35) | — | |
| SCHEMBL16180227 | 0.79 | — | — | |
| Fluthiacetmethyl SCHEMBL39080 | 0.79 | KMT2A (0.35) | — | |
| Fluthiacetmethyl SCHEMBL9048322 | 0.79 | KMT2A (0.35) | — | |
| SCHEMBL9496193 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63264489-A | — | — | None | — | — | JP | disclosed |
| EP-0273417-B1 | THIADIAZABICYCLONONANE DERIVATIVES AND HERBICIDAL COMPOSITIONS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-08-21 | — | — | EP | disclosed |
| US-4906279-A | Thiadiazabicyclononane derivatives and herbicidal composition | KUMIAI CHEMICAL INDUSTRY CO. (JP) | 1990-03-06 | — | — | US | disclosed |
| EP-0273417-A1 | Thiadiazabicyclononane derivatives and herbicidal compositions | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1988-07-06 | — | — | EP | disclosed |