⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1358372 | 0.93 | — | — | |
| Acetic Acid SCHEMBL31402517 | 0.87 | — | — | |
| Sulfuric Acid SCHEMBL28085033 | 0.86 | — | — | |
| Acetic Acid SCHEMBL28085031 | 0.83 | — | — | |
| SCHEMBL28884896 | 0.83 | CA1 (0.32) | — | |
| SCHEMBL27966890 | 0.81 | CA1 (0.33) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL23500132 | 0.80 | CA1 (0.30) | — | |
| SCHEMBL27636184 | 0.80 | — | — | |
| SCHEMBL563226 | 0.80 | — | — | |
| SCHEMBL28626313 | 0.80 | TSHR (0.31) | — |
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-104151466-B | L-phenylalanine green is utilized to prepare the method for new material of detachable chiral binaphthol | 齐鲁工业大学 | 2016-10-26 | — | — | CN | claimed |