⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3006559 | 0.84 | CCR5 (0.35) | — | |
| SCHEMBL2993037 | 0.84 | HTT (0.33) | — | |
| SCHEMBL3925985 | 0.78 | CCR5 (0.34) | — | |
| SCHEMBL1800729 | 0.78 | CYP2D6 (0.50) | — | |
| SCHEMBL1800874 | 0.76 | CCR5 (0.32) | — | |
| SCHEMBL4037144 | 0.75 | CCR5 (0.33) | — | |
| SCHEMBL1801638 | 0.73 | CRBN (0.46) | — | |
| SCHEMBL1802377 | 0.73 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL4032461 | 0.72 | CCR5 (0.32) | — | |
| SCHEMBL2989339 | 0.72 | CXCR3 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |