⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8837465 | 1.00 | CA1 (0.44) | — | |
| SCHEMBL78716 | 0.94 | CA1 (0.50) | — | |
| SCHEMBL815 | 0.94 | — | — | |
| SCHEMBL9181149 | 0.94 | — | — | |
| SCHEMBL1781916 | 0.94 | — | — | |
| Hydrazine SCHEMBL22634077 | 0.89 | ACHE (0.42) | — | |
| SCHEMBL4001690 | 0.88 | — | — | |
| Hydrogen Sulfide SCHEMBL22289073 | 0.88 | — | — | |
| Phosphine SCHEMBL11087343 | 0.88 | — | — | |
| Bicarbonate SCHEMBL2591362 | 0.88 | — | — |
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-104496971-B | A kind of compound as RAAS system doubling inhibitor | 浙江永太科技股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-104496971-A | Compound used as dual inhibitor for RAAS (rennin angiotensin aldosterone system) | ZHEJIANG YONGTAI TECHNOLOGY CO LTD | 2015-04-08 | — | — | CN | disclosed |