⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762752 | 0.77 | — | — | |
| SCHEMBL17723015 | 0.74 | — | — | |
| SCHEMBL576194 | 0.74 | — | — | |
| SCHEMBL14524970 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL576963 | 0.70 | — | — | |
| SCHEMBL24597218 | 0.70 | — | — | |
| SCHEMBL8312835 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL11988956 | 0.70 | — | — | |
| SCHEMBL14275537 | 0.70 | — | — | |
| SCHEMBL14659705 | 0.68 | — | — |
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-20070197393-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES | WITSCHEL MATTHIAS | 2007-08-23 | — | — | US | disclosed |
| CN-1049439-A | AGENTS FOR DEFOLIATING COTTON | BASF AG (DE) | 1991-02-27 | — | — | CN | disclosed |
| CN-1049265-A | The Synergistic blend of forming by urea and diphenyl ether derivative that is used for the plant disleave | BASF AG (DE) | 1991-02-20 | — | — | CN | disclosed |