⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9188946 | 0.74 | HTR2A (0.48) | — | |
| SCHEMBL9188953 | 0.74 | HTR2A (0.48) | — | |
| SCHEMBL1462686 | 0.74 | — | — | |
| SCHEMBL13679644 | 0.73 | — | — | |
| SCHEMBL3786376 | 0.71 | — | — | |
| SCHEMBL12327087 | 0.69 | — | — | |
| SCHEMBL7714133 | 0.69 | — | — | |
| SCHEMBL15769366 | 0.69 | — | — | |
| SCHEMBL4660411 | 0.69 | — | — | |
| SCHEMBL361268 | 0.69 | — | — |
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-6429023-B1 | POLYMER-BASED, INDEX OF REFRACTION-MEDIATED ANALYTE SENSING DEVICES THAT ARE ADAPTABLE TO A VARIETY OF ENVIRONMENTS, AND TO BOTH CHEMICAL AND BIOLOGICAL SPECIES | SHAYDA TECHNOLOGIES, INC. | 2002-08-06 | — | — | US | disclosed |