⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5798197 | 0.72 | NOTUM (0.35) | — | |
| SCHEMBL2943192 | 0.68 | KMO (0.35) | — | |
| SCHEMBL6993803 | 0.66 | — | — | |
| SCHEMBL4006606 | 0.63 | — | — | |
| SCHEMBL1206440 | 0.63 | CES2 (0.31) | — | |
| SCHEMBL1043011 | 0.60 | CA12 (0.35) | — | |
| SCHEMBL77935 | 0.60 | — | — | |
| SCHEMBL21153 | 0.60 | — | — | |
| SCHEMBL8064478 | 0.60 | — | — | |
| SCHEMBL1494587 | 0.59 | GAA (0.38) | — |
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-0118833-A1 | Substituted diamides of phenylhydroxy-thiomalonic acids, process for their preparation and their use as pesticides | BAYER AG (DE) | 1984-09-19 | — | — | EP | disclosed |