⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23423389 | 1.00 | — | — | |
| SCHEMBL1031700 | 0.88 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL1530965 | 0.88 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL4491733 | 0.88 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL6808603 | 0.86 | SMN1; SMN2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL14311856 | 0.86 | SMN1; SMN2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL14888080 | 0.86 | SMN1; SMN2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL2673112 | 0.86 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL23279350 | 0.86 | SMN1; SMN2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL3970845 | 0.86 | SMN1; SMN2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |