⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30660135 | 1.00 | — | — | |
| SCHEMBL2888123 | 0.72 | — | — | |
| SCHEMBL8447303 | 0.72 | — | — | |
| SCHEMBL8447304 | 0.72 | — | — | |
| SCHEMBL8176256 | 0.72 | — | — | |
| SCHEMBL25403206 | 0.72 | — | — | |
| SCHEMBL277217 | 0.72 | — | — | |
| SCHEMBL1311907 | 0.72 | — | — | |
| SCHEMBL12440988 | 0.72 | — | — | |
| SCHEMBL31555004 | 0.72 | — | — |
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-2025092989-A1 | SUBSTITUTED QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMBINATION THEREOF, AND USE THEREOF | 泰州红云制药有限公司 | 2025-05-08 | — | — | WO | disclosed |
| CN-113087669-B | Preparation method of 4-cyano-5-bromopyrimidine | 南京药石科技股份有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-113087669-B | Preparation method of 4-cyano-5-bromopyrimidine | 南京药石科技股份有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-113087669-A | Preparation method of 4-cyano-5-bromopyrimidine | 南京药石科技股份有限公司 | 2021-07-09 | — | — | CN | disclosed |
| CN-113087669-A | Preparation method of 4-cyano-5-bromopyrimidine | 南京药石科技股份有限公司 | 2021-07-09 | — | — | CN | disclosed |