⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL1331490 | 0.89 | — | — | |
| Zinc Ion SCHEMBL7101997 | 0.89 | CA1 (0.60) | — | |
| Zinc Ion SCHEMBL7365 | 0.89 | — | — | |
| Zinc Ion SCHEMBL434500 | 0.80 | CA1 (0.50) | — | |
| SCHEMBL11509294 | 0.80 | — | — | |
| Zinc Ion SCHEMBL8164670 | 0.80 | — | — | |
| Zinc Ion SCHEMBL9294871 | 0.80 | CA1 (0.50) | — | |
| Zinc Ion SCHEMBL8164666 | 0.80 | CA1 (0.50) | — | |
| Potassium Ion SCHEMBL1506460 | 0.80 | — | — | |
| Zinc Ion SCHEMBL5968546 | 0.80 | CA1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060183909-A1 | Compositions derived from quinoline and quinoxaline, preparation and use thereof | NEURO3D (FR) | 2006-08-17 | — | — | US | disclosed |