⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15723668 | 1.00 | — | — | |
| SCHEMBL6855722 | 0.90 | SIGMAR1 (0.51) | — | |
| SCHEMBL6964856 | 0.87 | ALDH1A1 (0.45) | — | |
| SCHEMBL18853923 | 0.86 | NR1H2 (0.49) | — | |
| SCHEMBL13416620 | 0.85 | ALDH1A1 (0.43) | — | |
| SCHEMBL13416618 | 0.85 | KDM4E (0.49) | — | |
| SCHEMBL6216850 | 0.85 | CYP1A2 (0.45) | — | |
| SCHEMBL8967849 | 0.84 | — | — | |
| SCHEMBL24682861 | 0.84 | HRH3 (0.50) | — | |
| SCHEMBL14472941 | 0.84 | ALDH1A1 (0.59) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100076015-A1 | Aminopyridine Derivatives | VANTIA LIMITED (GB) | 2010-03-25 | — | — | US | disclosed |
| US-20100076015-A1 | Aminopyridine Derivatives | VANTIA LIMITED (GB) | 2010-03-25 | — | — | US | disclosed |