⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11268784 | 0.86 | — | — | |
| Ethylene SCHEMBL6891846 | 0.80 | — | — | |
| SCHEMBL3737332 | 0.77 | — | — | |
| Trimethylammonium SCHEMBL8080328 | 0.68 | — | — | |
| SCHEMBL24599032 | 0.67 | — | — | |
| SCHEMBL14819105 | 0.67 | — | — | |
| SCHEMBL14519710 | 0.67 | — | — | |
| SCHEMBL16870310 | 0.67 | — | — | |
| SCHEMBL13662400 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL901195 | 0.62 | — | — |
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-110127752-A | A kind of stable β-CsPbI3The preparation method of perovskite thin film | 上海交通大学 | 2019-08-16 | — | — | CN | disclosed |