⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8412988 | 0.86 | CHRNB2 (0.48) | — | |
| SCHEMBL8413065 | 0.79 | — | — | |
| SCHEMBL11129844 | 0.77 | — | — | |
| SCHEMBL8412637 | 0.76 | CHRNB2 (0.35) | — | |
| SCHEMBL24465389 | 0.75 | CHRNB2 (0.52) | — | |
| SCHEMBL9679827 | 0.75 | — | — | |
| SCHEMBL11192227 | 0.75 | — | — | |
| SCHEMBL11849588 | 0.73 | CHRNB2 (0.50) | — | |
| SCHEMBL10963898 | 0.71 | CHRNB2 (0.48) | — | |
| SCHEMBL16353037 | 0.71 | CYP2C19 (0.58) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5859030-A | Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-01-12 | — | — | US | disclosed |