⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7598468 | 1.00 | — | — | |
| SCHEMBL7595669 | 0.84 | AKT1 (0.53) | — | |
| SCHEMBL7599183 | 0.84 | AKT1 (0.53) | — | |
| SCHEMBL5173318 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL7592901 | 0.79 | AKT1 (0.51) | — | |
| SCHEMBL7592898 | 0.79 | AKT1 (0.51) | — | |
| SCHEMBL16478980 | 0.79 | — | — | |
| SCHEMBL5174141 | 0.76 | — | — | |
| SCHEMBL5173836 | 0.76 | — | — | |
| SCHEMBL7594243 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1257535-A1 | SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001056991-A1 | SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 2001-08-09 | — | — | WO | disclosed |