⚠ 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 | |
|---|---|---|---|---|
| Cetostearyl Alcohol SCHEMBL28180329 | 0.85 | TSHR (0.72) | — | |
| Octanol SCHEMBL8623758 | 0.85 | TSHR (0.72) | — | |
| Dodecanol SCHEMBL11631535 | 0.85 | TSHR (0.72) | — | |
| Butane SCHEMBL9349259 | 0.84 | — | — | |
| SCHEMBL27856448 | 0.83 | HTT (0.56) | — | |
| Dodecylamine SCHEMBL7555334 | 0.83 | DNM1 (0.68) | — | |
| Decylamine SCHEMBL11904973 | 0.83 | DNM1 (0.68) | — | |
| Octadecylamine SCHEMBL3621783 | 0.83 | DNM1 (0.68) | — | |
| Butylamine SCHEMBL27858808 | 0.81 | — | — | |
| SCHEMBL23499819 | 0.81 | HTT (0.60) | — |
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-107586247-A | At least 1 hexene and octene are prepared from ethene | 赢创德固赛有限公司 | 2018-01-16 | — | — | CN | disclosed |
| CN-1138852-A | Pyridazinone derivative | NISSAN CHEMICAL IND LTD (JP) | 1996-12-25 | — | — | CN | disclosed |