⚠ 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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL5479794 | 0.95 | — | — | |
| Nitrous Acid SCHEMBL3447358 | 0.89 | — | — | |
| SCHEMBL1769721 | 0.88 | KDM4E (0.35) | — | |
| SCHEMBL3303143 | 0.86 | KDM4E (0.39) | — | |
| Hydrochloric Acid SCHEMBL1769805 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL3447378 | 0.85 | — | — | |
| Nitrous Acid SCHEMBL3450534 | 0.85 | — | — | |
| Nitrous Acid SCHEMBL3447866 | 0.84 | — | — | |
| Nitrous Acid SCHEMBL3447600 | 0.82 | — | — | |
| SCHEMBL3448780 | 0.81 | NPC1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7854854-B2 | Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2010-12-21 | — | — | US | disclosed |
| US-20100038578-A1 | Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device | ALLY BANK, AS AGENT | 2010-02-18 | — | — | US | disclosed |