⚠ 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 | |
|---|---|---|---|---|
| Propyne SCHEMBL521923 | 1.00 | — | — | |
| Propyne SCHEMBL2031 | 1.00 | — | — | |
| Propyne SCHEMBL1330783 | 1.00 | — | — | |
| Propyne SCHEMBL830325 | 0.93 | — | — | |
| Propyne SCHEMBL10631146 | 0.93 | — | — | |
| Propyne SCHEMBL22983240 | 0.93 | — | — | |
| Propyne SCHEMBL6886770 | 0.93 | — | — | |
| Propyne SCHEMBL22749791 | 0.93 | — | — | |
| Propyne SCHEMBL7158451 | 0.93 | — | — | |
| Propyne SCHEMBL20557227 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0332387-B1 | Triazole derivatives, their preparation and their use as fungicides | SANKYO CO (JP) | 1993-11-24 | — | — | EP | disclosed |
| EP-0332387-A1 | Triazole derivatives, their preparation and their use as fungicides | Sankyo Company Limited (JP) | 1989-09-13 | — | — | EP | disclosed |