⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26768 | 0.97 | — | — | |
| SCHEMBL28234960 | 0.94 | — | — | |
| SCHEMBL27894584 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL21770 | 0.94 | — | — | |
| Bromide SCHEMBL10492849 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL25294729 | 0.94 | — | — | |
| SCHEMBL19922852 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL16973676 | 0.92 | — | — | |
| Sulfuric Acid SCHEMBL5663602 | 0.87 | TSHR (0.55) | — | |
| SCHEMBL28049736 | 0.85 | TSHR (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-109652484-A | A kind of method that full cell high-efficient catalyzes and synthesizes N-BETA-Alanyl-L-histidine | 常熟理工学院 | 2019-04-19 | — | — | CN | disclosed |