⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12325863 | 0.94 | — | — | |
| SCHEMBL19006237 | 0.92 | — | — | |
| SCHEMBL12149713 | 0.92 | — | — | |
| SCHEMBL22446826 | 0.92 | — | — | |
| SCHEMBL8738916 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL13890677 | 0.75 | — | — | |
| SCHEMBL11949514 | 0.75 | CHRM2 (0.32) | — | |
| SCHEMBL16063174 | 0.74 | CYP1A2 (0.41) | — | |
| SCHEMBL12827875 | 0.72 | — | — | |
| SCHEMBL8737805 | 0.72 | OPRM1 (0.32) | — |
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-20100279271-A1 | Sample collection apparatus | RAPID BIOSENSOR SYSTEMS LIMITED (GB) | 2010-11-04 | — | — | US | disclosed |