⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10079973 | 0.88 | — | — | |
| SCHEMBL10079985 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL10079972 | 0.69 | — | — | |
| SCHEMBL18661691 | 0.65 | HSP90AB1 (0.36) | — | |
| SCHEMBL17309100 | 0.63 | HSP90AB1 (0.34) | — | |
| SCHEMBL10079982 | 0.61 | — | — | |
| SCHEMBL18661724 | 0.60 | HSP90AB1 (0.32) | — | |
| SCHEMBL10079976 | 0.59 | — | — | |
| SCHEMBL7537282 | 0.59 | HSP90AB1 (0.48) | — | |
| SCHEMBL10918105 | 0.59 | HSP90AB1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2012084678-A1 | NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-06-28 | — | — | WO | disclosed |