⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6867933 | 0.91 | — | — | |
| SCHEMBL7044854 | 0.86 | HPGD (0.32) | — | |
| SCHEMBL6861500 | 0.86 | DYRK3 (0.33) | — | |
| SCHEMBL6869528 | 0.85 | — | — | |
| SCHEMBL6870015 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL6861471 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL6866232 | 0.84 | KCNH2 (0.38) | — | |
| SCHEMBL6869670 | 0.83 | — | — | |
| SCHEMBL6865786 | 0.83 | NMT2 (0.36) | — | |
| SCHEMBL6869916 | 0.83 | HPGD (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1091957-B1 | PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA | ALTANA PHARMA AG (DE) | 2004-12-15 | — | — | EP | disclosed |
| US-6395732-B1 | BACTERICIDES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2002-05-28 | — | — | US | disclosed |
| EP-1091957-A1 | PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2001-04-18 | — | — | EP | disclosed |
| WO-1999061439-A1 | PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-12-02 | — | — | WO | disclosed |