⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL7071361 | 0.80 | — | — | |
| Formic Acid SCHEMBL11777953 | 0.80 | TSHR (0.50) | — | |
| Formic Acid SCHEMBL27505000 | 0.76 | — | — | |
| Acetaldehyde SCHEMBL28563774 | 0.76 | TSHR (0.60) | — | |
| Formic Acid SCHEMBL9472719 | 0.75 | — | — | |
| Formic Acid SCHEMBL139759 | 0.75 | — | — | |
| Formic Acid SCHEMBL11153346 | 0.75 | — | — | |
| Formic Acid SCHEMBL11592629 | 0.75 | — | — | |
| Formic Acid SCHEMBL11073136 | 0.75 | — | — | |
| Formic Acid SCHEMBL6682610 | 0.74 | ALDH1A1 (0.38) | — |
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 |