⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL8379087 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1039820 | 0.95 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1310 | 0.95 | — | — | |
| Butanone SCHEMBL1510153 | 0.95 | — | — | |
| Butanone SCHEMBL17255798 | 0.91 | — | — | |
| Butanone SCHEMBL21631022 | 0.91 | — | — | |
| Butanone SCHEMBL2892085 | 0.91 | — | — | |
| Butanone SCHEMBL22405658 | 0.91 | — | — | |
| Butanone SCHEMBL5386702 | 0.91 | — | — | |
| Butanone SCHEMBL20558041 | 0.91 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119931032-A | Preparation method of amide COF and application of amide COF in butanone ligature nitrogen synthesis | 中国石油化工股份有限公司 | 2025-05-06 | — | — | CN | disclosed |
| CN-119930465-A | Synthesis method of butanone azine | 中国石油化工股份有限公司 | 2025-05-06 | — | — | CN | disclosed |
| CN-119320337-A | Synthesis method of butanone azine | 中国石油化工股份有限公司 | 2025-01-17 | — | — | CN | disclosed |
| CN-119320337-A | Synthesis method of butanone azine | 中国石油化工股份有限公司 | 2025-01-17 | — | — | CN | disclosed |
| US-20090247581-A1 | Organic Compounds | PRASHAD MAHAVIR | 2009-10-01 | — | — | US | disclosed |
| EP-1951670-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007111706-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2007-10-04 | — | — | WO | disclosed |