⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4360002 | 1.00 | — | — | |
| SCHEMBL4361308 | 0.86 | — | — | |
| SCHEMBL1878200 | 0.86 | — | — | |
| SCHEMBL6862827 | 0.84 | HCAR2 (0.33) | — | |
| SCHEMBL6862617 | 0.84 | HCAR2 (0.33) | — | |
| SCHEMBL27894234 | 0.82 | HCAR2 (0.35) | — | |
| SCHEMBL27759852 | 0.82 | HCAR2 (0.35) | — | |
| SCHEMBL27957601 | 0.82 | HCAR2 (0.35) | — | |
| SCHEMBL248098 | 0.79 | — | — | |
| SCHEMBL1830146 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7619084-B2 | Reacting an acrylonitrile, ammonia and alkyl orthoformate in an ammonia-isopropyl alcoholsolution under stirring at 145 degrees C. for 12 hours; nonteratogenicity, nontoxic; simplification; industrial scale; chemical intermediates; drugs; agricultural chemicals | UBE INDUSTRIES, LTD. (JP) | 2009-11-17 | — | — | US | claimed |
| US-20080045712-A1 | Process for Preparing 4-Aminopyrimidine Compound | UBE INDUSTRIES, LTD. (JP) | 2008-02-21 | — | — | US | claimed |