⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7338721 | 0.89 | ARG1 (0.35) | — | |
| SCHEMBL7338385 | 0.89 | ARG1 (0.35) | — | |
| SCHEMBL27609068 | 0.69 | NPSR1 (0.32) | — | |
| SCHEMBL11953953 | 0.69 | — | — | |
| SCHEMBL11954364 | 0.69 | — | — | |
| SCHEMBL3155305 | 0.69 | — | — | |
| SCHEMBL7348888 | 0.68 | ARG1 (0.31) | — | |
| SCHEMBL8368853 | 0.67 | FFAR3 (0.30) | — | |
| SCHEMBL11888828 | 0.67 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL11296585 | 0.67 | — | — |
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-109071516-B | Novel compounds | 阿斯利康(瑞典)有限公司 | 2021-08-31 | — | — | CN | disclosed |