⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6725237 | 0.76 | — | — | |
| SCHEMBL6722107 | 0.70 | — | — | |
| SCHEMBL6722114 | 0.70 | — | — | |
| SCHEMBL12744863 | 0.69 | — | — | |
| SCHEMBL6722110 | 0.69 | — | — | |
| SCHEMBL24976656 | 0.67 | — | — | |
| SCHEMBL3313479 | 0.65 | — | — | |
| SCHEMBL6719933 | 0.65 | — | — | |
| SCHEMBL6725452 | 0.65 | — | — | |
| SCHEMBL706505 | 0.64 | — | — |
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-6639070-B1 | 4-substituted 1,3,4-oxadiazines; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-28 | — | — | US | disclosed |
| EP-1187819-B1 | N-SUBSTITUTED PERHYDRO DIAZINE | BASF AG (DE) | 2003-07-23 | — | — | EP | disclosed |