⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27813 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27875305 | 0.86 | — | — | |
| SCHEMBL28071259 | 0.86 | — | — | |
| SCHEMBL38659903 | 0.86 | — | — | |
| SCHEMBL29408732 | 0.84 | — | — | |
| SCHEMBL15798544 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL5358681 | 0.80 | — | — | |
| Dimethylamine SCHEMBL8099499 | 0.80 | — | — | |
| Alcohol SCHEMBL29072403 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL1720973 | 0.80 | — | — |
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-106457193-A | Process for producing aerogels by dielectric heating | 埃纳森斯公司 | 2017-02-22 | — | — | CN | disclosed |