⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6861845 | 0.99 | — | — | |
| SCHEMBL6861598 | 0.89 | METAP2 (0.30) | — | |
| SCHEMBL7896052 | 0.88 | POLB (0.31) | — | |
| SCHEMBL6865853 | 0.88 | DYRK3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6869111 | 0.87 | POLB (0.31) | — | |
| SCHEMBL6861534 | 0.86 | PDE10A (0.30) | — | |
| SCHEMBL6871715 | 0.85 | — | — | |
| SCHEMBL6867667 | 0.85 | LMNA (0.36) | — | |
| SCHEMBL6870942 | 0.83 | TLR8 (0.36) | — | |
| SCHEMBL6866284 | 0.83 | KDM4E (0.35) | — |
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 |