⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4738672 | 0.92 | ALDH1A1 (0.48) | — | |
| SCHEMBL10338832 | 0.89 | ALDH1A1 (0.46) | — | |
| SCHEMBL2968811 | 0.84 | — | — | |
| SCHEMBL166345 | 0.81 | — | — | |
| SCHEMBL27993912 | 0.81 | — | — | |
| SCHEMBL15499989 | 0.81 | — | — | |
| SCHEMBL16253842 | 0.81 | — | — | |
| SCHEMBL1157589 | 0.78 | — | — | |
| SCHEMBL34065 | 0.78 | — | — | |
| SCHEMBL10367143 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4157235-A1 | MONO- AND BIS-NITROSYLATED ALKYL POLYOLS FOR THERAPEUTIC USE | Attgeno AB (SE) | 2023-04-05 | — | — | EP | disclosed |
| EP-4157234-A1 | MONO- AND BIS-NITROSYLATED PROPANEDIOLS FOR THERAPEUTIC USE | Attgeno AB (SE) | 2023-04-05 | — | — | 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 |