⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25475447 | 0.77 | — | — | |
| SCHEMBL28264910 | 0.77 | — | — | |
| SCHEMBL6433841 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL31268203 | 0.74 | — | — | |
| SCHEMBL16079341 | 0.74 | APLNR (0.35) | — | |
| SCHEMBL15233490 | 0.74 | — | — | |
| SCHEMBL13074445 | 0.74 | — | — | |
| SCHEMBL571952 | 0.74 | — | — | |
| SCHEMBL6686381 | 0.73 | CYP2C19 (0.35) | — | |
| Quinic Acid SCHEMBL39555 | 0.72 | HSD17B10 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119421877-A | Substituted heterocyclic compounds as HSET inhibitors | 默克专利股份公司 | 2025-02-11 | — | — | CN | disclosed |
| CN-118892553-A | Esatitecan analogue, ligand-drug conjugate thereof and application thereof | 浙江大学 | 2024-11-05 | — | — | CN | disclosed |