⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14879109 | 0.77 | — | — | |
| SCHEMBL24444348 | 0.74 | YEATS4 (0.43) | — | |
| SCHEMBL21203072 | 0.72 | HDAC4 (0.33) | — | |
| SCHEMBL14212568 | 0.71 | PTPN1 (0.33) | — | |
| SCHEMBL13083477 | 0.70 | — | — | |
| SCHEMBL14145630 | 0.70 | — | — | |
| SCHEMBL13618056 | 0.70 | — | — | |
| SCHEMBL14449315 | 0.70 | — | — | |
| SCHEMBL14303451 | 0.69 | — | — | |
| SCHEMBL9808806 | 0.67 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11040028-B2 | Penicinotam derivative, preparation method and use thereof | OCEAN UNIVERSITY OF CHINA (CN) | 2021-06-22 | — | — | US | disclosed |
| US-20200172473-A1 | DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE | JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) | 2020-06-04 | — | — | US | disclosed |