⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25262328 | 1.00 | — | — | |
| SCHEMBL2495763 | 1.00 | — | — | |
| SCHEMBL27925150 | 0.72 | — | — | |
| SCHEMBL15128367 | 0.72 | — | — | |
| SCHEMBL11135348 | 0.72 | — | — | |
| SCHEMBL30287653 | 0.70 | — | — | |
| SCHEMBL30287665 | 0.70 | — | — | |
| SCHEMBL25269041 | 0.70 | — | — | |
| SCHEMBL6251740 | 0.70 | — | — | |
| SCHEMBL448417 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4450069-A2 | PROCESSES FOR PREPARING NITROSYLATED PROPANEDIOLS, COMPOSITIONS COMPRISING THE SAME, AND MEDICAL USES THEREOF | Attgeno AB (SE) | 2024-10-23 | — | — | EP | disclosed |
| CN-115884757-A | Mononitrosated and bisnitrosated propylene glycols for therapeutic use | 阿特格诺有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-115867263-A | Mono-and di-nitrosylated alkyl polyols for therapeutic use | 阿特格诺有限公司 | 2023-03-28 | — | — | CN | disclosed |