⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55434 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL30849864 | 0.86 | CYP2D6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28903650 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4266235 | 0.86 | — | — | |
| Water SCHEMBL392208 | 0.86 | — | — | |
| Alcohol SCHEMBL28557996 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28536498 | 0.82 | — | — | |
| SCHEMBL28692922 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL758261 | 0.78 | ALDH1A1 (0.33) | — | |
| Boric Acid SCHEMBL8614621 | 0.78 | LMNA (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100339355-C | Method for producing or purifying onium hydroxides by means of electrodialysis | BASF AG (DE) | 2007-09-26 | — | — | CN | disclosed |
| CN-1177083-C | Prepn. of onium hydroxides in electrochemical cell | ɳķ | 2004-11-24 | — | — | CN | disclosed |
| CN-1334796-A | Method for producing or purifying onium hydroxides by electrodialysis | BASF AG (DE) | 2002-02-06 | — | — | CN | disclosed |
| CN-1259174-A | Synthesis of onium hydroxides from onium salts | SACHEM INC (US) | 2000-07-05 | — | — | CN | disclosed |
| CN-1234080-A | Preparation of onium hydroxides in electrochemical cells | SACHEM INC (US) | 1999-11-03 | — | — | CN | disclosed |