⚠ 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL340574 | 0.94 | — | — | |
| Lithium Ion SCHEMBL16146112 | 0.94 | — | — | |
| SCHEMBL2313305 | 0.94 | — | — | |
| SCHEMBL4523290 | 0.94 | RECQL (0.43) | — | |
| SCHEMBL30227756 | 0.80 | MEN1 (0.50) | — | |
| SCHEMBL10887205 | 0.80 | MEN1 (0.50) | — | |
| Potassium Ion SCHEMBL14974423 | 0.76 | RECQL (0.50) | — | |
| SCHEMBL2750421 | 0.76 | TSHR (0.56) | — | |
| Lithium Ion SCHEMBL17456451 | 0.76 | RECQL (0.50) | — | |
| SCHEMBL924012 | 0.75 | RECQL (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1264825-A1 | Beta-Hydroxyalkylpicoliniumsalts | Bayer Aktiengesellschaft (DE) | 2002-12-11 | — | — | EP | disclosed |