⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31599 | 0.84 | — | — | |
| SCHEMBL28626368 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL28227805 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL21385159 | 0.81 | — | — | |
| SCHEMBL29225914 | 0.81 | — | — | |
| Diethylamine SCHEMBL21694324 | 0.71 | TP53 (0.47) | — | |
| Butane SCHEMBL15859339 | 0.69 | — | — | |
| SCHEMBL33180 | 0.65 | — | — | |
| Octadecylamine SCHEMBL18721082 | 0.64 | DNM1 (0.62) | — | |
| SCHEMBL327803 | 0.63 | — | — |
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-106147693-A | A and ketoxime type single-component room temperature vulcanized silicone rubber | 刘方旭 | 2016-11-23 | — | — | CN | disclosed |