⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13241224 | 0.74 | — | — | |
| SCHEMBL13220230 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL8392396 | 0.72 | — | — | |
| SCHEMBL8392401 | 0.72 | — | — | |
| SCHEMBL11822399 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL1416550 | 0.67 | — | — | |
| SCHEMBL3069346 | 0.65 | CA12 (0.35) | — | |
| SCHEMBL437705 | 0.65 | NPSR1 (0.44) | — | |
| SCHEMBL3483355 | 0.65 | PTGES (0.33) | — | |
| SCHEMBL28998258 | 0.65 | QPCT (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6107312-A | BACTERICIDE | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-08-22 | — | — | US | disclosed |
| EP-0764160-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1997-03-26 | — | — | EP | disclosed |
| WO-1995034553-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-12-21 | — | — | WO | disclosed |