⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL233273 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4732262 | 0.82 | — | — | |
| Guanidine SCHEMBL27641258 | 0.73 | — | — | |
| Trifluoroacetic Acid SCHEMBL14562413 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL945654 | 0.65 | — | — | |
| SCHEMBL1828973 | 0.65 | — | — | |
| SCHEMBL12808218 | 0.65 | — | — | |
| SCHEMBL4415612 | 0.63 | — | — | |
| SCHEMBL1387989 | 0.63 | — | — | |
| SCHEMBL11334 | 0.63 | — | — |
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-115915795-A | Perovskite solar cell containing double-layer trifluoroacetate modification layer and preparation method thereof | 河北工业大学 | 2023-04-04 | — | — | CN | disclosed |