⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6813016 | 0.77 | — | — | |
| SCHEMBL6903410 | 0.74 | — | — | |
| SCHEMBL11578925 | 0.71 | — | — | |
| SCHEMBL4012605 | 0.71 | — | — | |
| SCHEMBL12944155 | 0.71 | — | — | |
| SCHEMBL24727495 | 0.70 | — | — | |
| SCHEMBL11578923 | 0.69 | — | — | |
| SCHEMBL11578919 | 0.69 | — | — | |
| SCHEMBL11578924 | 0.69 | — | — | |
| SCHEMBL26580380 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108135257-B | Activated carbon beads for smoking articles | 菲利普莫里斯生产公司 | 2021-07-30 | — | — | CN | disclosed |