⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19232074 | 0.85 | CA1 (0.30) | — | |
| SCHEMBL24282362 | 0.77 | — | — | |
| SCHEMBL21336594 | 0.71 | — | — | |
| SCHEMBL13784324 | 0.71 | — | — | |
| SCHEMBL8268084 | 0.71 | — | — | |
| SCHEMBL18570156 | 0.71 | — | — | |
| SCHEMBL17468755 | 0.67 | — | — | |
| SCHEMBL22810130 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL14547791 | 0.67 | — | — | |
| SCHEMBL21783851 | 0.67 | CA1 (0.30) | — |
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-2012011707-A2 | SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME | HYUNDAI PHARM CO., LTD. (KR) | 2012-01-26 | — | — | WO | disclosed |