⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9566130 | 1.00 | — | — | |
| SCHEMBL9566252 | 0.90 | HTT (0.34) | — | |
| SCHEMBL8846207 | 0.78 | AKR1C3 (0.33) | — | |
| SCHEMBL9190928 | 0.78 | AKR1C3 (0.33) | — | |
| SCHEMBL9580375 | 0.77 | — | — | |
| SCHEMBL9566132 | 0.76 | — | — | |
| SCHEMBL9566128 | 0.76 | — | — | |
| SCHEMBL9566170 | 0.75 | — | — | |
| SCHEMBL9253964 | 0.74 | MMP1 (0.41) | — | |
| SCHEMBL9566168 | 0.73 | FAAH (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0547972-A1 | Heterocyclic amide derivatives and their use as pesticides | ROUSSEL-UCLAF (FR) | 1993-06-23 | — | — | EP | claimed |