⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25144624 | 0.81 | — | — | |
| SCHEMBL26620432 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL19122626 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL18976756 | 0.72 | — | — | |
| SCHEMBL27010397 | 0.71 | — | — | |
| SCHEMBL15698394 | 0.69 | — | — | |
| SCHEMBL22302066 | 0.69 | — | — | |
| SCHEMBL4550233 | 0.69 | — | — | |
| SCHEMBL25144623 | 0.68 | CARM1 (0.34) | — | |
| SCHEMBL25144443 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020156323-A1 | IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2020-08-06 | — | — | WO | disclosed |