⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL225103 | 0.74 | — | — | |
| SCHEMBL791008 | 0.74 | — | — | |
| Water SCHEMBL3180232 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL528387 | 0.70 | — | — | |
| SCHEMBL7523749 | 0.70 | — | — | |
| SCHEMBL11396859 | 0.67 | — | — | |
| SCHEMBL11236418 | 0.67 | TSHR (0.33) | — | |
| Hydrogen Peroxide SCHEMBL9321454 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL21052521 | 0.67 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL29768258 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0421761-A2 | Optical data storage medium formed of UV-curable resin and process for the production thereof | TEIJIN LIMITED (JP) | 1991-04-10 | — | — | EP | disclosed |