⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL28747218 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL11656046 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL6754783 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL29688387 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL30877879 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL29688432 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL2263798 | 0.92 | ALDH1A1 (1.00) | — | |
| Butyl Alcohol SCHEMBL9725477 | 0.92 | ALDH1A1 (1.00) | — | |
| Butyl Alcohol SCHEMBL532 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL11895293 | 0.89 | — | — |
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-210092132-U | Intelligent preparation device for planar ultrathin photovoltaic device | 太原理工大学 | 2020-02-18 | — | — | CN | disclosed |
| CN-105870329-A | Preparation method for water-soluble rubidium fluoride inverted-structure polymer solar cell | 中国科学院长春光学精密机械与物理研究所 | 2016-08-17 | — | — | CN | disclosed |