⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14159170 | 0.83 | — | — | |
| SCHEMBL13760677 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL20336225 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8369306 | 0.78 | — | — | |
| SCHEMBL16857519 | 0.78 | — | — | |
| Bromide SCHEMBL16146536 | 0.77 | — | — | |
| Bromide SCHEMBL16266989 | 0.77 | — | — | |
| Bromide SCHEMBL17273270 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17273300 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28501180 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009103062-A1 | ANION DETECTION BY ESI-MS USING IMIDAZOLIUM-BASED DICATIONIC LIQUID SALTS | SIGMA-ALDRICH CO. (US) | 2009-08-20 | — | — | WO | disclosed |