⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17445700 | 0.92 | — | — | |
| SCHEMBL17445690 | 0.79 | DPP4 (0.31) | — | |
| SCHEMBL31124653 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL13322969 | 0.72 | — | — | |
| SCHEMBL17445688 | 0.72 | DPP4 (0.32) | — | |
| SCHEMBL31124628 | 0.71 | CYP1A2 (0.42) | — | |
| SCHEMBL17446968 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL17803832 | 0.68 | — | — | |
| SCHEMBL13301761 | 0.68 | — | — | |
| SCHEMBL17445701 | 0.67 | — | — |
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-10202345-B2 | Substituted azaspiro(4.5)decane derivatives | GRUENENTHAL GMBH (DE) | 2019-02-12 | — | — | US | disclosed |
| US-20160016903-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |