⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188630 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL29251289 | 0.77 | GRM5 (0.52) | — | |
| Fluoride SCHEMBL31286347 | 0.74 | GRM5 (0.50) | — | |
| Charcoal, Activated SCHEMBL31286314 | 0.74 | GRM5 (0.50) | — | |
| SCHEMBL4351361 | 0.74 | — | — | |
| SCHEMBL100446 | 0.72 | — | — | |
| SCHEMBL28558 | 0.72 | — | — | |
| SCHEMBL114436 | 0.72 | — | — | |
| SCHEMBL208029 | 0.72 | — | — | |
| SCHEMBL7990691 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001087842-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-11-22 | — | — | WO | disclosed |