⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30350861 | 0.78 | — | — | |
| SCHEMBL299732 | 0.78 | — | — | |
| Bromide SCHEMBL2673186 | 0.72 | — | — | |
| Ethylamine SCHEMBL28706391 | 0.70 | — | — | |
| SCHEMBL28711401 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28604128 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28604129 | 0.67 | — | — | |
| SCHEMBL7110069 | 0.67 | — | — | |
| SCHEMBL24664 | 0.63 | — | — | |
| Chlorethanamine SCHEMBL7110074 | 0.61 | — | — |
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-113130762-B | Light absorption layer material of solar cell, ternary cation perovskite solar cell and preparation method thereof | 华南理工大学 | 2022-08-16 | — | — | CN | claimed |