⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28612787 | 0.79 | — | — | |
| SCHEMBL10882587 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL16651576 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL2942331 | 0.73 | — | — | |
| SCHEMBL5483012 | 0.71 | — | — | |
| SCHEMBL8401529 | 0.71 | — | — | |
| SCHEMBL7952455 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL11570155 | 0.69 | CNR1 (0.48) | — | |
| SCHEMBL28413472 | 0.67 | — | — | |
| SCHEMBL11367729 | 0.67 | GRIK1 (0.32) | — |
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-1312261-B1 | Aqueous compositions containing a haloalkynyl compound and a buffer for providing biocidal activity and for stabilising end-use formulations | TROY TECHNOLOGY CORP INC (US) | 2006-08-30 | — | — | EP | disclosed |