⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9876574 | 0.91 | MAPT (0.33) | — | |
| SCHEMBL9876158 | 0.83 | LMNA (0.42) | — | |
| SCHEMBL9876058 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL7513475 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL9875847 | 0.71 | — | — | |
| SCHEMBL9875843 | 0.71 | — | — | |
| SCHEMBL9876056 | 0.71 | — | — | |
| SCHEMBL9876172 | 0.70 | LMNA (0.39) | — | |
| SCHEMBL12178890 | 0.70 | KDM4E (0.37) | — | |
| SCHEMBL9875966 | 0.65 | ALPL (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045557-A | Imidazable fungicides and use thereof | SCHERING AGROCHEMICALS LTD. (GB) | 1991-09-03 | — | — | US | disclosed |
| EP-0284277-A1 | Cyanoimidazole fungicides | AgrEvo UK Limited (GB) | 1988-09-28 | — | — | EP | disclosed |