⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6279291 | 0.75 | — | — | |
| SCHEMBL374360 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL22988689 | 0.70 | — | — | |
| SCHEMBL3293884 | 0.70 | — | — | |
| SCHEMBL75613 | 0.70 | — | — | |
| Formamide SCHEMBL1642146 | 0.70 | — | — | |
| Hydroxyamine SCHEMBL10688051 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9658417 | 0.67 | — | — | |
| SCHEMBL1719672 | 0.67 | — | — | |
| SCHEMBL9903913 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2373172-B1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS INC (US) | 2013-07-17 | — | — | EP | disclosed |
| US-6639094-B2 | Process for producing α-aminoketone derivatives | AJINOMOTO CO., INC. (JP) | 2003-10-28 | — | — | US | disclosed |
| US-20020026081-A1 | Process for producing alpha-aminoketone derivatives | AJINOMOTO CO., INC. (JP) | 2002-02-28 | — | — | US | disclosed |