⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22183890 | 0.77 | — | — | |
| SCHEMBL4302347 | 0.77 | — | — | |
| SCHEMBL5689142 | 0.76 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL12907664 | 0.74 | — | — | |
| SCHEMBL30573445 | 0.74 | — | — | |
| SCHEMBL2911301 | 0.74 | — | — | |
| SCHEMBL615765 | 0.74 | — | — | |
| SCHEMBL346729 | 0.72 | — | — | |
| SCHEMBL11093493 | 0.72 | — | — | |
| SCHEMBL11093489 | 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 |
|---|---|---|---|---|---|---|---|
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-4439229-A | Substituted phthalimides herbicides | ROHM AND HAAS COMPANY (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0068822-A2 | Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds | ROHM AND HAAS COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |