⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42985 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1465726 | 0.97 | — | — | |
| SCHEMBL2590479 | 0.97 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1465559 | 0.97 | — | — | |
| SCHEMBL2120477 | 0.97 | — | — | |
| Alcohol SCHEMBL5707793 | 0.91 | ALDH1A1 (0.40) | — | |
| Alcohol SCHEMBL4462663 | 0.91 | ALDH1A1 (0.40) | — | |
| SCHEMBL9419614 | 0.89 | THRB (0.39) | — | |
| Bicarbonate SCHEMBL7190421 | 0.89 | GABRR1 (0.37) | — | |
| Acetic Acid SCHEMBL10585177 | 0.84 | GABRR1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140346-A1 | EMULSION COMPOSITIONS | The Lubrizol Corporation (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040327-A1 | EMULSION COMPOSITIONS | THE LUBRIZOL CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |