⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22689294 | 0.94 | MAPT (0.37) | — | |
| SCHEMBL636678 | 0.93 | TSHR (0.33) | — | |
| SCHEMBL11796375 | 0.93 | MAPT (0.32) | — | |
| SCHEMBL2022370 | 0.90 | MAPT (0.36) | — | |
| SCHEMBL1366320 | 0.90 | — | — | |
| SCHEMBL9056384 | 0.90 | MEN1 (0.36) | — | |
| SCHEMBL17746741 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL538551 | 0.90 | MEN1 (0.36) | — | |
| SCHEMBL20667099 | 0.90 | MEN1 (0.36) | — | |
| SCHEMBL17746740 | 0.90 | MEN1 (0.36) | — |
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-113214227-A | Heterocyclic compound and application thereof | 上海青玄生物科技有限公司 | 2021-08-06 | — | — | CN | disclosed |