⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15367879 | 0.80 | — | — | |
| SCHEMBL17922012 | 0.80 | — | — | |
| SCHEMBL13241277 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL14866753 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL11942585 | 0.67 | — | — | |
| SCHEMBL19387480 | 0.67 | — | — | |
| SCHEMBL17922010 | 0.67 | — | — | |
| SCHEMBL14866705 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL19461010 | 0.65 | — | — | |
| SCHEMBL12966836 | 0.65 | — | — |
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-20160200937-A1 | Anti-smudge and Anti-graffiti Compositions | HU, HENG (CA) | 2016-07-14 | — | — | US | disclosed |