⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29041047 | 0.84 | — | — | |
| SCHEMBL28515374 | 0.78 | — | — | |
| SCHEMBL31110422 | 0.76 | — | — | |
| SCHEMBL19192662 | 0.76 | — | — | |
| SCHEMBL2990926 | 0.64 | HCAR2 (0.31) | — | |
| SCHEMBL29576045 | 0.64 | — | — | |
| SCHEMBL29576193 | 0.64 | — | — | |
| SCHEMBL29576043 | 0.64 | — | — | |
| SCHEMBL31392876 | 0.62 | — | — | |
| SCHEMBL27867439 | 0.62 | — | — |
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-112341378-A | Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-02-09 | — | — | CN | claimed |
| CN-112341378-A | Urea substituted alkynyl pyrimidine or urea substituted alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2021-02-09 | — | — | CN | disclosed |