⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13019378 | 0.81 | — | — | |
| SCHEMBL18519171 | 0.65 | — | — | |
| SCHEMBL5670418 | 0.65 | — | — | |
| SCHEMBL5962534 | 0.65 | — | — | |
| SCHEMBL13828000 | 0.62 | — | — | |
| SCHEMBL11149475 | 0.62 | — | — | |
| SCHEMBL24444433 | 0.62 | — | — | |
| SCHEMBL7331148 | 0.62 | — | — | |
| SCHEMBL14395282 | 0.61 | — | — | |
| SCHEMBL8464126 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7351331-B2 | Recreational spa including a bromine generator | PIONEER H20 TECHNOLOGIES, INC. (US) | 2008-04-01 | — | — | US | disclosed |