⚠ 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 | |
|---|---|---|---|---|
| Pentadecane SCHEMBL9194866 | 0.92 | HTT (0.36) | — | |
| SCHEMBL9193515 | 0.92 | HTT (0.36) | — | |
| Hydrochloric Acid SCHEMBL9193826 | 0.91 | KMT2A (0.36) | — | |
| Pentadecane SCHEMBL9194910 | 0.91 | KMT2A (0.36) | — | |
| SCHEMBL2170722 | 0.80 | — | — | |
| SCHEMBL22189075 | 0.79 | EEF2K (0.35) | — | |
| SCHEMBL597808 | 0.79 | — | — | |
| SCHEMBL6518280 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL13861136 | 0.77 | — | — | |
| Bromide SCHEMBL5145718 | 0.77 | HTT (0.31) | — |
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-0718288-B1 | Liquid hydrophobic salts, their preparation and their use in electrochemistry | HYDRO QUEBEC (CA) | 2005-06-29 | — | — | EP | claimed |