⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5718233 | 0.71 | SLC6A3 (0.43) | — | |
| SCHEMBL6680935 | 0.63 | — | — | |
| SCHEMBL2634911 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL4078186 | 0.60 | — | — | |
| SCHEMBL248467 | 0.60 | — | — | |
| SCHEMBL524526 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6345328 | 0.58 | DDAH1 (0.53) | — | |
| Ammonia Solution, Strong SCHEMBL22163822 | 0.58 | DDAH1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL6345332 | 0.58 | DDAH1 (0.53) | — | |
| SCHEMBL7910245 | 0.58 | KDM4E (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7141560-B2 | Alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics | AKZO NOBEL N.V. (NL) | 2006-11-28 | — | — | US | disclosed |
| EP-1373188-B1 | ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS | AKZO NOBEL NV (NL) | 2006-06-07 | — | — | EP | disclosed |
| US-20040059109-A1 | Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics | N.V. ORGANON (NL) | 2004-03-25 | — | — | US | disclosed |