⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27878360 | 0.82 | — | — | |
| SCHEMBL350036 | 0.79 | — | — | |
| SCHEMBL2190343 | 0.78 | — | — | |
| SCHEMBL3223765 | 0.73 | — | — | |
| SCHEMBL3219471 | 0.73 | — | — | |
| SCHEMBL457271 | 0.70 | — | — | |
| Water SCHEMBL8015768 | 0.69 | — | — | |
| SCHEMBL43352 | 0.69 | — | — | |
| SCHEMBL3221285 | 0.68 | IMPDH2 (0.32) | — | |
| SCHEMBL458006 | 0.68 | GABRA1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116217457-A | 4-amino-1H-pyrrole compound, preparation method and application | 中国药科大学 | 2023-06-06 | — | — | CN | claimed |
| CN-116217457-A | 4-amino-1H-pyrrole compound, preparation method and application | 中国药科大学 | 2023-06-06 | — | — | CN | disclosed |
| US-20100069244-A1 | Pyridine Compounds for Combating Pests | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |