⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2993155 | 0.80 | ACHE (0.35) | — | |
| SCHEMBL3915996 | 0.80 | HDAC8 (0.36) | — | |
| SCHEMBL3918157 | 0.77 | HDAC8 (0.35) | — | |
| SCHEMBL1800401 | 0.77 | CYP1A2 (0.49) | — | |
| SCHEMBL1797546 | 0.75 | CYP2C19 (0.33) | — | |
| SCHEMBL1800958 | 0.73 | HDAC8 (0.32) | — | |
| SCHEMBL4034635 | 0.73 | HDAC8 (0.35) | — | |
| SCHEMBL4033021 | 0.73 | HDAC8 (0.34) | — | |
| SCHEMBL1798741 | 0.72 | HSD11B1 (0.40) | — | |
| SCHEMBL1800547 | 0.72 | TDP1 (0.47) | — |
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 |