⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL731069 | 0.75 | — | — | |
| SCHEMBL21727766 | 0.74 | HPGD (0.38) | — | |
| SCHEMBL301539 | 0.73 | — | — | |
| SCHEMBL29582103 | 0.72 | TSHR (0.52) | — | |
| SCHEMBL853813 | 0.71 | — | — | |
| SCHEMBL2162595 | 0.71 | — | — | |
| SCHEMBL2162628 | 0.71 | — | — | |
| SCHEMBL8072601 | 0.71 | — | — | |
| SCHEMBL12489937 | 0.71 | — | — | |
| SCHEMBL8464166 | 0.71 | KMT2A (0.55) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105852199-A | Preparation method of tobacco-sourced basic cigarette-smell raw material | 湖南中烟工业有限责任公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-105852200-A | Preparation method of tobacco-sourced basic cigarette-smell raw material | 湖南中烟工业有限责任公司 | 2016-08-17 | — | — | CN | disclosed |