⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49560 | 0.91 | — | — | |
| SCHEMBL6248387 | 0.91 | — | — | |
| Lithium Ion SCHEMBL38657499 | 0.83 | — | — | |
| SCHEMBL31373849 | 0.83 | — | — | |
| Potassium Ion SCHEMBL38657855 | 0.83 | — | — | |
| SCHEMBL4413758 | 0.83 | — | — | |
| Water SCHEMBL5508088 | 0.83 | — | — | |
| SCHEMBL31420193 | 0.83 | — | — | |
| SCHEMBL38657385 | 0.83 | — | — | |
| SCHEMBL7759268 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005054197-A1 | CATALYTIC PROCESS FOR PRODUCTION OF PYRIDINE AND PICOLINES WHEREIN THE CATALYST CONTAINS ZIRCONIUM OR TIN | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2005-06-16 | — | — | WO | disclosed |
| US-20050131235-A1 | Catalytic process for production of pyridine and picolines | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2005-06-16 | — | — | US | disclosed |