⚠ 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 | |
|---|---|---|---|---|
| 4-Imidazolecarboxylic Acid SCHEMBL20488406 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL20488159 | 0.79 | GDA (0.34) | — | |
| SCHEMBL20489193 | 0.78 | — | — | |
| SCHEMBL20489063 | 0.72 | — | — | |
| SCHEMBL69204 | 0.72 | — | — | |
| SCHEMBL8646072 | 0.70 | SOAT1 (0.44) | — | |
| SCHEMBL2210189 | 0.70 | — | — | |
| SCHEMBL28905563 | 0.70 | — | — | |
| SCHEMBL1374801 | 0.69 | — | — | |
| SCHEMBL5752399 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018158365-A1 | MICROBIOCIDAL OXADIAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-09-07 | — | — | WO | disclosed |