⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21345876 | 1.00 | — | — | |
| SCHEMBL23157074 | 1.00 | — | — | |
| SCHEMBL13175735 | 1.00 | — | — | |
| SCHEMBL24205845 | 1.00 | — | — | |
| SCHEMBL12282602 | 0.81 | — | — | |
| SCHEMBL8217147 | 0.81 | — | — | |
| SCHEMBL7100933 | 0.81 | SLC7A5 (0.38) | — | |
| SCHEMBL8217149 | 0.81 | — | — | |
| SCHEMBL7100924 | 0.81 | SLC7A5 (0.38) | — | |
| SCHEMBL31267141 | 0.80 | CES2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11180502-B2 | Azaspiro[4.5]decane derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2021-11-23 | — | — | US | disclosed |
| US-20180134707-A1 | AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2018-05-17 | — | — | US | disclosed |
| WO-2007001926-A2 | LOW-SWELLING HYDROGEL SEALANTS FOR WOUND REPAIR | HYPERBRANCH MEDICAL TECHNOLOGY, INC. (US) | 2007-01-04 | — | — | WO | disclosed |