⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5135807 | 1.00 | — | — | |
| SCHEMBL5135805 | 1.00 | — | — | |
| SCHEMBL1584181 | 1.00 | — | — | |
| SCHEMBL14630771 | 1.00 | — | — | |
| SCHEMBL1583972 | 1.00 | — | — | |
| SCHEMBL14630769 | 1.00 | — | — | |
| SCHEMBL1583863 | 1.00 | — | — | |
| SCHEMBL2685140 | 1.00 | — | — | |
| SCHEMBL19206038 | 0.89 | KDM4E (0.39) | — | |
| SCHEMBL17528518 | 0.89 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116535365-A | Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer | ITEOS比利时公司 | 2023-08-04 | — | — | CN | claimed |
| EP-1973903-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES | Speedel Experimenta AG (CH) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007082907-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES | SPEEDEL EXPERIMENTA AG (CH) | 2007-07-26 | — | — | WO | disclosed |