⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL15940238 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL9838754 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL19376785 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL288686 | 1.00 | — | — | |
| Acetonitrile SCHEMBL9935942 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL490215 | 1.00 | — | — | |
| Acetonitrile SCHEMBL25284595 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL27867164 | 1.00 | — | — | |
| Acetonitrile SCHEMBL167513 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2186630 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307355-B1 | Novel synthesis of substituted 4-amino-pyrimidines | DSM IP ASSETS BV (NL) | 2013-11-06 | — | — | EP | disclosed |
| US-8252927-B2 | Synthesis of substituted 4-amino-pyrimidines | DSM IP ASSETS B.V. (NL) | 2012-08-28 | — | — | US | disclosed |
| US-20110178300-A1 | NOVEL SYNTHESIS OF SUBSTITUTED 4-AMINO-PYRIMIDINES | DSM IP ASSETS B.V. (NL) | 2011-07-21 | — | — | US | 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 |