⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8675050 | 0.79 | TP53 (0.44) | — | |
| SCHEMBL8487049 | 0.78 | — | — | |
| SCHEMBL1771381 | 0.76 | — | — | |
| SCHEMBL5040518 | 0.76 | — | — | |
| SCHEMBL310693 | 0.76 | — | — | |
| SCHEMBL7520886 | 0.75 | — | — | |
| SCHEMBL7518983 | 0.75 | — | — | |
| SCHEMBL7521176 | 0.75 | — | — | |
| SCHEMBL7518978 | 0.75 | — | — | |
| SCHEMBL7520492 | 0.75 | — | — |
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-2021047555-A1 | PREPARATION OF AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND APPLICATION THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |