⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL119053 | 0.96 | — | — | |
| Phosphoric Acid SCHEMBL28732283 | 0.83 | TP53 (0.42) | — | |
| SCHEMBL27673635 | 0.75 | — | — | |
| SCHEMBL27692353 | 0.75 | — | — | |
| SCHEMBL11681718 | 0.75 | — | — | |
| Lactic Acid SCHEMBL1919812 | 0.72 | TP53 (0.92) | — | |
| Lactic Acid SCHEMBL11328082 | 0.72 | TP53 (0.92) | — | |
| L-Lactic Acid SCHEMBL377377 | 0.72 | — | — | |
| Lactic Acid SCHEMBL18862883 | 0.72 | — | — | |
| Lactic Acid SCHEMBL350168 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109233836-B | Quantum dot fluorescent microsphere and preparation method thereof | 北京唯公医疗技术有限公司 | 2021-08-10 | — | — | CN | disclosed |
| CN-104955476-A | MULTIVALENT GLYCOCONJUGATE VACCINES | BIOSYNTH SRL | 2015-09-30 | — | — | CN | disclosed |