⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29441771 | 0.95 | TSHR (1.00) | — | |
| SCHEMBL34466311 | 0.95 | TSHR (1.00) | — | |
| Benzene SCHEMBL10751789 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL180431 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL1654468 | 0.95 | — | — | |
| Pyridine SCHEMBL9037865 | 0.95 | TSHR (1.00) | — | |
| SCHEMBL3052767 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL16 | 0.95 | — | — | |
| Benzene SCHEMBL1261317 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL933604 | 0.95 | TSHR (1.00) | — |
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-6214628-B1 | MIXING METAL-LIGAND COMPLEX AND SAMPLE, IRRADIATING WITH ELECTROMAGNETIC WAVES, AND MEASURING EMITTED LIGHT TO MEASURE ANALYTE OF INTEREST; LONG ABSORPTION EMISSION WAVELENGTHS, LONG LIFETIMES, HIGH LUMINESCENCE, HIGH QUANTUM YIELDS | Lakowicz, Joseph R. | 2001-04-10 | — | — | US | disclosed |