⚠ 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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL2903612 | 0.89 | — | — | |
| SCHEMBL5563533 | 0.89 | — | — | |
| SCHEMBL2903550 | 0.86 | — | — | |
| SCHEMBL3447388 | 0.82 | — | — | |
| SCHEMBL907514 | 0.81 | — | — | |
| Cyanamide SCHEMBL2895484 | 0.79 | — | — | |
| SCHEMBL3447008 | 0.79 | — | — | |
| Nitrous Acid SCHEMBL3448242 | 0.79 | — | — | |
| SCHEMBL907528 | 0.79 | — | — | |
| Cyanamide SCHEMBL5488662 | 0.78 | KDM4E (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-1840124-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE | Otsuka Chemical Co., Ltd. (JP) | 2007-10-03 | — | — | EP | disclosed |