⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28624715 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL10902290 | 0.75 | — | — | |
| Isopropyl Alcohol SCHEMBL10579294 | 0.71 | — | — | |
| Isopropyl Alcohol SCHEMBL29148795 | 0.71 | — | — | |
| Methylamine SCHEMBL18334651 | 0.71 | — | — | |
| Isopropyl Alcohol SCHEMBL2590415 | 0.71 | — | — | |
| Isopropyl Alcohol SCHEMBL20338127 | 0.71 | ALDH1A1 (0.75) | — | |
| SCHEMBL1387989 | 0.71 | — | — | |
| SCHEMBL11334 | 0.71 | — | — | |
| SCHEMBL4415612 | 0.71 | — | — |
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-109360889-B | Perovskite solar cell with high filling factor and preparation method thereof | 西安交通大学 | 2020-04-28 | — | — | CN | disclosed |