⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7260736 | 0.60 | CYP1A2 (0.36) | — | |
| SCHEMBL24121978 | 0.60 | PDPK1 (0.34) | — | |
| SCHEMBL7170269 | 0.58 | NPY5R (0.35) | — | |
| SCHEMBL2119144 | 0.58 | — | — | |
| SCHEMBL11100217 | 0.58 | — | — | |
| SCHEMBL13211901 | 0.56 | — | — | |
| SCHEMBL18711719 | 0.56 | KDR (0.45) | — | |
| SCHEMBL4734595 | 0.56 | HSP90AB1 (0.35) | — | |
| SCHEMBL3114591 | 0.56 | — | — | |
| SCHEMBL16232044 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115768764-B | Parallel ring compound with anti-tumor activity and application thereof | 上海翊石医药科技有限公司 | 2025-02-07 | — | — | CN | disclosed |
| CN-115768764-A | Fused ring compound with anti-tumor activity and application thereof | 上海翊石医药科技有限公司 | 2023-03-07 | — | — | CN | disclosed |
| WO-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |