⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10116679 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL4961147 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL607413 | 0.66 | — | — | |
| SCHEMBL4879770 | 0.65 | KEAP1 (0.31) | — | |
| SCHEMBL4876153 | 0.65 | KEAP1 (0.31) | — | |
| SCHEMBL4879767 | 0.65 | KEAP1 (0.31) | — | |
| SCHEMBL27542242 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL4791539 | 0.62 | — | — | |
| SCHEMBL751104 | 0.62 | TDP1 (0.54) | — | |
| SCHEMBL4791541 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080015353-A1 | PROCESS FOR PRODUCTION OF 4-ACETYLPYRIMIDINES AND CRYSTALS THEREOF | AJINOMOTO CO., INC. (JP) | 2008-01-17 | — | — | US | disclosed |