⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4027953 | 0.94 | — | — | |
| SCHEMBL2531922 | 0.78 | — | — | |
| SCHEMBL342405 | 0.72 | — | — | |
| SCHEMBL2945960 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL15285099 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL14641322 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL31277248 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL2945963 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL16505672 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL30895203 | 0.70 | ALDH1A1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130041000-A1 | NOVEL AZOLE COMPOUND | AJINOMOTO CO., INC. (JP) | 2013-02-14 | — | — | US | disclosed |
| US-20090170911-A1 | NOVEL AZOLE COMPOUND | AJINOMOTO CO. INC (JP) | 2009-07-02 | — | — | US | disclosed |
| US-7517996-B2 | Azole compound | AJINOMOTO CO., INC. (JP) | 2009-04-14 | — | — | US | disclosed |
| US-20060194850-A1 | Novel azole compound | AJINOMOTO CO. INC (JP) | 2006-08-31 | — | — | US | disclosed |