⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5329389 | 0.66 | — | — | |
| SCHEMBL29084337 | 0.66 | — | — | |
| SCHEMBL11684926 | 0.52 | — | — | |
| SCHEMBL18837125 | 0.49 | — | — | |
| SCHEMBL27835245 | 0.46 | — | — | |
| Sulfamate SCHEMBL29285080 | 0.44 | CA2 (0.50) | — | |
| SCHEMBL31484730 | 0.43 | — | — | |
| Benzoquinone SCHEMBL4943047 | 0.42 | TDP1 (0.61) | — | |
| Sulfamate SCHEMBL28758324 | 0.42 | — | — | |
| Sulfamate SCHEMBL7152331 | 0.42 | — | — |
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-1455888-B1 | TOPICAL ADMINISTRATION DEVICE | PHARMAKODEX LTD (GB) | 2009-04-29 | — | — | EP | claimed |