⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28647786 | 0.88 | — | — | |
| SCHEMBL347582 | 0.85 | HRH3 (0.30) | — | |
| SCHEMBL15751182 | 0.79 | SSTR4 (0.32) | — | |
| SCHEMBL4695239 | 0.78 | — | — | |
| SCHEMBL15752166 | 0.78 | SSTR4 (0.34) | — | |
| SCHEMBL5033836 | 0.77 | CYP3A4 (0.35) | — | |
| SCHEMBL2204527 | 0.76 | SIGMAR1 (0.38) | — | |
| SCHEMBL4713916 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL2577923 | 0.75 | SLC6A2 (0.43) | — | |
| SCHEMBL1556145 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1926730-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | AstraZeneca AB (SE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007030061-A1 | NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2007-03-15 | — | — | WO | disclosed |