⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21650482 | 0.76 | — | — | |
| SCHEMBL17970659 | 0.74 | — | — | |
| SCHEMBL22139766 | 0.72 | — | — | |
| SCHEMBL19018980 | 0.72 | — | — | |
| SCHEMBL16173716 | 0.70 | — | — | |
| SCHEMBL23425425 | 0.70 | — | — | |
| SCHEMBL18519950 | 0.70 | — | — | |
| SCHEMBL22838394 | 0.69 | — | — | |
| SCHEMBL25989395 | 0.69 | — | — | |
| SCHEMBL27653026 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022129914-A1 | ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL | BENEVOLENTAI BIO LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |
| EP-3530656-B1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | UNIV ZHEJIANG (CN) | 2022-01-05 | — | — | EP | disclosed |
| EP-3530656-A1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | Zhejiang University (CN) | 2019-08-28 | — | — | EP | disclosed |
| WO-2018086546-A1 | 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE | 浙江大学 | 2018-05-17 | — | — | WO | disclosed |
| WO-2018086547-A1 | 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF | 浙江大学 | 2018-05-17 | — | — | WO | disclosed |