⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL211319 | 0.97 | — | — | |
| SCHEMBL30080118 | 0.95 | — | — | |
| Methane SCHEMBL28714950 | 0.95 | — | — | |
| SCHEMBL4473045 | 0.85 | ADH1B (0.39) | — | |
| SCHEMBL5651636 | 0.82 | — | — | |
| SCHEMBL11305359 | 0.80 | ADH1B (0.50) | — | |
| SCHEMBL9246968 | 0.80 | ADH1B (0.50) | — | |
| SCHEMBL4640444 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL2386174 | 0.72 | — | — | |
| SCHEMBL24753686 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778158-B | Preparation method and application of alpha-sodium formyl-beta-formamido propionitrile | 江苏兄弟维生素有限公司 | 2022-12-20 | — | — | CN | disclosed |
| EP-2307355-A1 | Novel synthesis of substituted 4-amino-pyrimidines | DSM IP Assets B.V. (NL) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010010113-A1 | Novel synthesis of substituted 4-amino-pyrimidines | DSM IP ASSETS B.V. (NL) | 2010-01-28 | — | — | WO | disclosed |
| EP-2102172-A1 | SYNTHESIS OF 4-AMINO-PYRIMIDINES | DSM IP Assets B.V. (NL) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008087021-A1 | SYNTHESIS OF 4-AMINO-PYRIMIDINES | DSM IP ASSETS B.V. (NL) | 2008-07-24 | — | — | WO | disclosed |