⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500567 | 0.87 | TSHR (0.44) | — | |
| SCHEMBL23529798 | 0.77 | GABRP (0.33) | — | |
| SCHEMBL21345128 | 0.77 | — | — | |
| SCHEMBL13618663 | 0.77 | — | — | |
| SCHEMBL4761841 | 0.77 | — | — | |
| SCHEMBL12388848 | 0.75 | — | — | |
| SCHEMBL269836 | 0.75 | — | — | |
| SCHEMBL888827 | 0.75 | — | — | |
| SCHEMBL17964216 | 0.75 | OR51E2 (0.38) | — | |
| Alcohol SCHEMBL7110108 | 0.73 | TSHR (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180134707-A1 | AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2018-05-17 | — | — | US | disclosed |
| US-9884865-B2 | Azaspiro[4.5] decane derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2018-02-06 | — | — | US | disclosed |
| US-20160207923-A1 | AZASPIRO[4.5] DECANE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2016-07-21 | — | — | US | disclosed |
| US-20150087043-A1 | MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION THAT EMPLOY BIOORTHOGONAL CHEMISTRIES, AND METHODS OF USING SAME | Coferon, Inc (US) | 2015-03-26 | — | — | US | disclosed |