⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10823123 | 0.95 | RECQL (0.35) | — | |
| SCHEMBL8836000 | 0.76 | — | — | |
| SCHEMBL7605882 | 0.74 | — | — | |
| SCHEMBL6559860 | 0.73 | RECQL (0.39) | — | |
| Potassium Ion SCHEMBL28934035 | 0.73 | RECQL (0.34) | — | |
| SCHEMBL12237784 | 0.72 | — | — | |
| Hydrogen Sulfide SCHEMBL1697055 | 0.72 | CA2 (0.32) | — | |
| Lithium Ion SCHEMBL28864518 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL8611023 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL11798630 | 0.70 | ALDH1A1 (0.36) | — |
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-1264825-A1 | Beta-Hydroxyalkylpicoliniumsalts | Bayer Aktiengesellschaft (DE) | 2002-12-11 | — | — | EP | disclosed |
| EP-0776888-A2 | Process for the preparation of beta-Hydrosyalkylpicolinium salts and picolinium salts as intermediates for the prepation of cationic dyes | BAYER AG (DE) | 1997-06-04 | — | — | EP | disclosed |